bis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide

C141H109Br13Cl2F2N18O18 — CID 172947031

IUPACbis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
SMILESCc1cc(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2Br)c1O.Cc1cc(Cl)cc(/C=N/NC(=O)c2ccc(Br)cc2Br)c1O.Cc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)c(O)c1.Cc1ccc(/C=N/NC(=O)c2ccc(Br)cc2Br)c(O)c1.Cc1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(O)c1.Cc1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(O)c1.Cc1ccc(/C=N/NC(=O)c2cccc(F)c2F)c(O)c1.O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(Br)ccc1Br.O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(Br)cc1Br
InChIInChI=1S/2C18H12Br2N2O2.2C15H11Br2ClN2O2.C15H12Br2N2O2.3C15H13BrN2O2.C15H12F2N2O2/c19-12-6-7-16(20)14(9-12)18(24)22-21-10-15-13-4-2-1-3-11(13)5-8-17(15)23;19-12-6-7-14(16(20)9-12)18(24)22-21-10-15-13-4-2-1-3-11(13)5-8-17(15)23;1-8-4-11(18)5-9(14(8)21)7-19-20-15(22)12-6-10(16)2-3-13(12)17;1-8-4-11(18)5-9(14(8)21)7-19-20-15(22)12-3-2-10(16)6-13(12)17;1-9-2-3-10(14(20)6-9)8-18-19-15(21)12-5-4-11(16)7-13(12)17;1-10-2-3-12(14(19)8-10)9-17-18-15(20)11-4-6-13(16)7-5-11;2*1-10-5-6-12(14(19)7-10)9-17-18-15(20)11-3-2-4-13(16)8-11;1-9-5-6-10(13(20)7-9)8-18-19-15(21)11-3-2-4-12(16)14(11)17/h2*1-10,23H,(H,22,24);2*2-7,21H,1H3,(H,20,22);2-8,20H,1H3,(H,19,21);3*2-9,19H,1H3,(H,18,20);2-8,20H,1H3,(H,19,21)/b2*21-10+;2*19-7+;18-8+;3*17-9+;18-8+
InChIKeyPBPGZDCZYILPRY-JSQVWBPASA-N
MW3491.18 g/mol
LogP35.37
Rot. Bonds27

About bis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide

bis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide (PubChem CID 172947031) has the molecular formula C141H109Br13Cl2F2N18O18 and a molecular weight of 3491.18 g/mol. Its IUPAC name is bis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Namebis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
PubChem CID172947031
Molecular FormulaC141H109Br13Cl2F2N18O18
Molecular Weight3491.18 g/mol
Exact Mass3475.69
IUPAC Namebis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
SMILESCc1cc(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2Br)c1O.Cc1cc(Cl)cc(/C=N/NC(=O)c2ccc(Br)cc2Br)c1O.Cc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)c(O)c1.Cc1ccc(/C=N/NC(=O)c2ccc(Br)cc2Br)c(O)c1.Cc1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(O)c1.Cc1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(O)c1.Cc1ccc(/C=N/NC(=O)c2cccc(F)c2F)c(O)c1.O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(Br)ccc1Br.O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(Br)cc1Br
InChIInChI=1S/2C18H12Br2N2O2.2C15H11Br2ClN2O2.C15H12Br2N2O2.3C15H13BrN2O2.C15H12F2N2O2/c19-12-6-7-16(20)14(9-12)18(24)22-21-10-15-13-4-2-1-3-11(13)5-8-17(15)23;19-12-6-7-14(16(20)9-12)18(24)22-21-10-15-13-4-2-1-3-11(13)5-8-17(15)23;1-8-4-11(18)5-9(14(8)21)7-19-20-15(22)12-6-10(16)2-3-13(12)17;1-8-4-11(18)5-9(14(8)21)7-19-20-15(22)12-3-2-10(16)6-13(12)17;1-9-2-3-10(14(20)6-9)8-18-19-15(21)12-5-4-11(16)7-13(12)17;1-10-2-3-12(14(19)8-10)9-17-18-15(20)11-4-6-13(16)7-5-11;2*1-10-5-6-12(14(19)7-10)9-17-18-15(20)11-3-2-4-13(16)8-11;1-9-5-6-10(13(20)7-9)8-18-19-15(21)11-3-2-4-12(16)14(11)17/h2*1-10,23H,(H,22,24);2*2-7,21H,1H3,(H,20,22);2-8,20H,1H3,(H,19,21);3*2-9,19H,1H3,(H,18,20);2-8,20H,1H3,(H,19,21)/b2*21-10+;2*19-7+;18-8+;3*17-9+;18-8+
InChIKeyPBPGZDCZYILPRY-JSQVWBPASA-N
XLogP35.37
TPSA555.21 Ų
H-Bond Donors18
H-Bond Acceptors27
Rotatable Bonds27
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003491.18
LogP ≤ 535.37
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide?
The IUPAC name of bis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide (CID 172947031) is bis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for bis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for bis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide is Cc1cc(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2Br)c1O.Cc1cc(Cl)cc(/C=N/NC(=O)c2ccc(Br)cc2Br)c1O.Cc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)c(O)c1.Cc1ccc(/C=N/NC(=O)c2ccc(Br)cc2Br)c(O)c1.Cc1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(O)c1.Cc1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(O)c1.Cc1ccc(/C=N/NC(=O)c2cccc(F)c2F)c(O)c1.O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(Br)ccc1Br.O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(Br)cc1Br.
What is the InChIKey of bis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide?
The InChIKey is PBPGZDCZYILPRY-JSQVWBPASA-N. The full InChI is InChI=1S/2C18H12Br2N2O2.2C15H11Br2ClN2O2.C15H12Br2N2O2.3C15H13BrN2O2.C15H12F2N2O2/c19-12-6-7-16(20)14(9-12)18(24)22-21-10-15-13-4-2-1-3-11(13)5-8-17(15)23;19-12-6-7-14(16(20)9-12)18(24)22-21-10-15-13-4-2-1-3-11(13)5-8-17(15)23;1-8-4-11(18)5-9(14(8)21)7-19-20-15(22)12-6-10(16)2-3-13(12)17;1-8-4-11(18)5-9(14(8)21)7-19-20-15(22)12-3-2-10(16)6-13(12)17;1-9-2-3-10(14(20)6-9)8-18-19-15(21)12-5-4-11(16)7-13(12)17;1-10-2-3-12(14(19)8-10)9-17-18-15(20)11-4-6-13(16)7-5-11;2*1-10-5-6-12(14(19)7-10)9-17-18-15(20)11-3-2-4-13(16)8-11;1-9-5-6-10(13(20)7-9)8-18-19-15(21)11-3-2-4-12(16)14(11)17/h2*1-10,23H,(H,22,24);2*2-7,21H,1H3,(H,20,22);2-8,20H,1H3,(H,19,21);3*2-9,19H,1H3,(H,18,20);2-8,20H,1H3,(H,19,21)/b2*21-10+;2*19-7+;18-8+;3*17-9+;18-8+.
What are the key properties of bis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide?
bis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide has a molecular weight of 3491.18 g/mol, XLogP of 35.37, 27 rotatable bonds, 18 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide);4-bromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(5-chloro-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;2,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,5-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;2,3-difluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 172947031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).