N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide;3,4-dibromo-N-[(E)-(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(3-chloro-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;tris(3,4-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide);3,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;3-fluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide

C137H105Br16ClF2N18O18 — CID 172941403

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

N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide;3,4-dibromo-N-[(E)-(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(3-chloro-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;tris(3,4-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide);3,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;3-fluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide (PubChem CID 172941403) has the molecular formula C137H105Br16ClF2N18O18 and a molecular weight of 3643.37 g/mol. Its IUPAC name is N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide;3,4-dibromo-N-[(E)-(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(3-chloro-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;tris(3,4-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide);3,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;3-fluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide.

Molecular Properties

• Compound Name: N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide;3,4-dibromo-N-[(E)-(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(3-chloro-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;tris(3,4-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide);3,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;3-fluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
• PubChem CID: 172941403
• Molecular Formula: C137H105Br16ClF2N18O18
• Molecular Weight: 3643.37 g/mol
• Exact Mass: 3625.44
• IUPAC Name: N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide;3,4-dibromo-N-[(E)-(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(3-chloro-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;tris(3,4-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide);3,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;3-fluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
• SMILES: Cc1cc(Br)c(O)c(/C=N/NC(=O)c2ccc(Br)c(Br)c2)c1.Cc1cc(Cl)c(O)c(/C=N/NC(=O)c2ccc(Br)c(Br)c2)c1.Cc1ccc(/C=N/NC(=O)c2ccc(Br)c(Br)c2)c(O)c1.Cc1ccc(/C=N/NC(=O)c2cccc(F)c2)c(O)c1.Cc1ccc(O)c(/C=N/NC(=O)c2ccc(Br)c(Br)c2)c1.Cc1ccc(O)c(/C=N/NC(=O)c2ccc(Br)c(Br)c2)c1.Cc1ccc(O)c(/C=N/NC(=O)c2ccc(Br)c(Br)c2)c1.O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(Br)c(Br)c1.O=C(N/N=C/c1cccc(Br)c1O)c1cccc(F)c1
• InChI: InChI=1S/C18H12Br2N2O2.C15H11Br3N2O2.C15H11Br2ClN2O2.4C15H12Br2N2O2.C15H13FN2O2.C14H10BrFN2O2/c19-15-7-5-12(9-16(15)20)18(24)22-21-10-14-13-4-2-1-3-11(13)6-8-17(14)23;2*1-8-4-10(14(21)13(18)5-8)7-19-20-15(22)9-2-3-11(16)12(17)6-9;3*1-9-2-5-14(20)11(6-9)8-18-19-15(21)10-3-4-12(16)13(17)7-10;1-9-2-3-11(14(20)6-9)8-18-19-15(21)10-4-5-12(16)13(17)7-10;1-10-5-6-12(14(19)7-10)9-17-18-15(20)11-3-2-4-13(16)8-11;15-12-6-2-4-10(13(12)19)8-17-18-14(20)9-3-1-5-11(16)7-9/h1-10,23H,(H,22,24);2*2-7,21H,1H3,(H,20,22);4*2-8,20H,1H3,(H,19,21);2-9,19H,1H3,(H,18,20);1-8,19H,(H,18,20)/b21-10+;2*19-7+;4*18-8+;17-9+;17-8+
• InChIKey: BTTAAZNNSKNTER-DTSMDUGZSA-N
• XLogP: 35.85
• TPSA: 555.21 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3643.37
LogP ≤ 5	35.85
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	27

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'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide;3,4-dibromo-N-[(E)-(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(3-chloro-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;tris(3,4-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide);3,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;3-fluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide?

The IUPAC name of N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide;3,4-dibromo-N-[(E)-(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(3-chloro-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;tris(3,4-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide);3,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;3-fluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide (CID 172941403) is N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide;3,4-dibromo-N-[(E)-(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(3-chloro-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;tris(3,4-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide);3,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;3-fluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide.

What is the SMILES notation for N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide;3,4-dibromo-N-[(E)-(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(3-chloro-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;tris(3,4-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide);3,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;3-fluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide?

The canonical SMILES for N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide;3,4-dibromo-N-[(E)-(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(3-chloro-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;tris(3,4-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide);3,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;3-fluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide is Cc1cc(Br)c(O)c(/C=N/NC(=O)c2ccc(Br)c(Br)c2)c1.Cc1cc(Cl)c(O)c(/C=N/NC(=O)c2ccc(Br)c(Br)c2)c1.Cc1ccc(/C=N/NC(=O)c2ccc(Br)c(Br)c2)c(O)c1.Cc1ccc(/C=N/NC(=O)c2cccc(F)c2)c(O)c1.Cc1ccc(O)c(/C=N/NC(=O)c2ccc(Br)c(Br)c2)c1.Cc1ccc(O)c(/C=N/NC(=O)c2ccc(Br)c(Br)c2)c1.Cc1ccc(O)c(/C=N/NC(=O)c2ccc(Br)c(Br)c2)c1.O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(Br)c(Br)c1.O=C(N/N=C/c1cccc(Br)c1O)c1cccc(F)c1.

What is the InChIKey of N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide;3,4-dibromo-N-[(E)-(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(3-chloro-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;tris(3,4-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide);3,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;3-fluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide?

The InChIKey is BTTAAZNNSKNTER-DTSMDUGZSA-N. The full InChI is InChI=1S/C18H12Br2N2O2.C15H11Br3N2O2.C15H11Br2ClN2O2.4C15H12Br2N2O2.C15H13FN2O2.C14H10BrFN2O2/c19-15-7-5-12(9-16(15)20)18(24)22-21-10-14-13-4-2-1-3-11(13)6-8-17(14)23;2*1-8-4-10(14(21)13(18)5-8)7-19-20-15(22)9-2-3-11(16)12(17)6-9;3*1-9-2-5-14(20)11(6-9)8-18-19-15(21)10-3-4-12(16)13(17)7-10;1-9-2-3-11(14(20)6-9)8-18-19-15(21)10-4-5-12(16)13(17)7-10;1-10-5-6-12(14(19)7-10)9-17-18-15(20)11-3-2-4-13(16)8-11;15-12-6-2-4-10(13(12)19)8-17-18-14(20)9-3-1-5-11(16)7-9/h1-10,23H,(H,22,24);2*2-7,21H,1H3,(H,20,22);4*2-8,20H,1H3,(H,19,21);2-9,19H,1H3,(H,18,20);1-8,19H,(H,18,20)/b21-10+;2*19-7+;4*18-8+;17-9+;17-8+.

What are the key properties of N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide;3,4-dibromo-N-[(E)-(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(3-chloro-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;tris(3,4-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide);3,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;3-fluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide?

N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide;3,4-dibromo-N-[(E)-(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(3-chloro-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;tris(3,4-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide);3,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;3-fluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide has a molecular weight of 3643.37 g/mol, XLogP of 35.85, 27 rotatable bonds, 18 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-(3-bromo-2-hydroxyphenyl)methylideneamino]-3-fluorobenzamide;3,4-dibromo-N-[(E)-(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(3-chloro-2-hydroxy-5-methylphenyl)methylideneamino]benzamide;3,4-dibromo-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide;tris(3,4-dibromo-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide);3,4-dibromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide;3-fluoro-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 172941403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).