N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide

C78H68Br4Cl2F5N17O11 — CID 159058076

IUPACN-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide
SMILESCc1cc(Br)cc(C=NNC(=O)c2cc(Cl)cc(Cl)c2)c1O.Cc1cc(Br)cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)c1O.Cc1cc(Br)cc(C=NNC(=O)c2ccccc2)c1O.Cc1cc(Br)cc(C=NNC(=O)c2ncc(F)c(N3CCOCC3)n2)c1O.O=C(NN=Cc1ccccn1)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C17H17BrFN5O3.C16H12BrF3N2O2.C15H11BrCl2N2O2.C15H13BrN2O2.C15H15FN6O2/c1-10-6-12(18)7-11(14(10)25)8-21-23-17(26)15-20-9-13(19)16(22-15)24-2-4-27-5-3-24;1-9-5-13(17)7-11(14(9)23)8-21-22-15(24)10-3-2-4-12(6-10)16(18,19)20;1-8-2-11(16)3-10(14(8)21)7-19-20-15(22)9-4-12(17)6-13(18)5-9;1-10-7-13(16)8-12(14(10)19)9-17-18-15(20)11-5-3-2-4-6-11;16-12-10-18-13(20-14(12)22-5-7-24-8-6-22)15(23)21-19-9-11-3-1-2-4-17-11/h6-9,25H,2-5H2,1H3,(H,23,26);2-8,23H,1H3,(H,22,24);2-7,21H,1H3,(H,20,22);2-9,19H,1H3,(H,18,20);1-4,9-10H,5-8H2,(H,21,23)
InChIKeyJYCNQKZMGMSSBG-UHFFFAOYSA-N
MW1905.02 g/mol
LogP14.61
Rot. Bonds17

About N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide

N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide (PubChem CID 159058076) has the molecular formula C78H68Br4Cl2F5N17O11 and a molecular weight of 1905.02 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide
PubChem CID159058076
Molecular FormulaC78H68Br4Cl2F5N17O11
Molecular Weight1905.02 g/mol
Exact Mass1899.13
IUPAC NameN-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide
SMILESCc1cc(Br)cc(C=NNC(=O)c2cc(Cl)cc(Cl)c2)c1O.Cc1cc(Br)cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)c1O.Cc1cc(Br)cc(C=NNC(=O)c2ccccc2)c1O.Cc1cc(Br)cc(C=NNC(=O)c2ncc(F)c(N3CCOCC3)n2)c1O.O=C(NN=Cc1ccccn1)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C17H17BrFN5O3.C16H12BrF3N2O2.C15H11BrCl2N2O2.C15H13BrN2O2.C15H15FN6O2/c1-10-6-12(18)7-11(14(10)25)8-21-23-17(26)15-20-9-13(19)16(22-15)24-2-4-27-5-3-24;1-9-5-13(17)7-11(14(9)23)8-21-22-15(24)10-3-2-4-12(6-10)16(18,19)20;1-8-2-11(16)3-10(14(8)21)7-19-20-15(22)9-4-12(17)6-13(18)5-9;1-10-7-13(16)8-12(14(10)19)9-17-18-15(20)11-5-3-2-4-6-11;16-12-10-18-13(20-14(12)22-5-7-24-8-6-22)15(23)21-19-9-11-3-1-2-4-17-11/h6-9,25H,2-5H2,1H3,(H,23,26);2-8,23H,1H3,(H,22,24);2-7,21H,1H3,(H,20,22);2-9,19H,1H3,(H,18,20);1-4,9-10H,5-8H2,(H,21,23)
InChIKeyJYCNQKZMGMSSBG-UHFFFAOYSA-N
XLogP14.61
TPSA377.61 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001905.02
LogP ≤ 514.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide (CID 159058076) is N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide is Cc1cc(Br)cc(C=NNC(=O)c2cc(Cl)cc(Cl)c2)c1O.Cc1cc(Br)cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)c1O.Cc1cc(Br)cc(C=NNC(=O)c2ccccc2)c1O.Cc1cc(Br)cc(C=NNC(=O)c2ncc(F)c(N3CCOCC3)n2)c1O.O=C(NN=Cc1ccccn1)c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide?
The InChIKey is JYCNQKZMGMSSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN5O3.C16H12BrF3N2O2.C15H11BrCl2N2O2.C15H13BrN2O2.C15H15FN6O2/c1-10-6-12(18)7-11(14(10)25)8-21-23-17(26)15-20-9-13(19)16(22-15)24-2-4-27-5-3-24;1-9-5-13(17)7-11(14(9)23)8-21-22-15(24)10-3-2-4-12(6-10)16(18,19)20;1-8-2-11(16)3-10(14(8)21)7-19-20-15(22)9-4-12(17)6-13(18)5-9;1-10-7-13(16)8-12(14(10)19)9-17-18-15(20)11-5-3-2-4-6-11;16-12-10-18-13(20-14(12)22-5-7-24-8-6-22)15(23)21-19-9-11-3-1-2-4-17-11/h6-9,25H,2-5H2,1H3,(H,23,26);2-8,23H,1H3,(H,22,24);2-7,21H,1H3,(H,20,22);2-9,19H,1H3,(H,18,20);1-4,9-10H,5-8H2,(H,21,23).
What are the key properties of N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide?
N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide has a molecular weight of 1905.02 g/mol, XLogP of 14.61, 17 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3,5-dichlorobenzamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide;N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide;5-fluoro-4-morpholin-4-yl-N-(pyridin-2-ylmethylideneamino)pyrimidine-2-carboxamide is sourced from PubChem (CID 159058076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).