N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide

C35H24Cl2N2O4 — CID 70561560

IUPACN-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)c3cc4ccccc4cc3O)c(Cl)c2)cc1Cl)c1cc2ccccc2cc1O
InChIInChI=1S/C35H24Cl2N2O4/c36-28-14-20(9-11-30(28)38-34(42)26-16-22-5-1-3-7-24(22)18-32(26)40)13-21-10-12-31(29(37)15-21)39-35(43)27-17-23-6-2-4-8-25(23)19-33(27)41/h1-12,14-19,40-41H,13H2,(H,38,42)(H,39,43)
InChIKeyWAUWGCWLHIKZTE-UHFFFAOYSA-N
MW607.49 g/mol
LogP8.81
Rot. Bonds6

About N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide

N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 70561560) has the molecular formula C35H24Cl2N2O4 and a molecular weight of 607.49 g/mol. Its IUPAC name is N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID70561560
Molecular FormulaC35H24Cl2N2O4
Molecular Weight607.49 g/mol
Exact Mass606.11
IUPAC NameN-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)c3cc4ccccc4cc3O)c(Cl)c2)cc1Cl)c1cc2ccccc2cc1O
InChIInChI=1S/C35H24Cl2N2O4/c36-28-14-20(9-11-30(28)38-34(42)26-16-22-5-1-3-7-24(22)18-32(26)40)13-21-10-12-31(29(37)15-21)39-35(43)27-17-23-6-2-4-8-25(23)19-33(27)41/h1-12,14-19,40-41H,13H2,(H,38,42)(H,39,43)
InChIKeyWAUWGCWLHIKZTE-UHFFFAOYSA-N
XLogP8.81
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.49
LogP ≤ 58.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 19850925
N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide
CID 14344833
3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402819
3-hydroxy-N-(7-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402830
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
CID 90477654
CID 90477654
3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide
CID 19595926
N-[(E)-[4-(2-chloroanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 17385865
N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide
CID 1370762
N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
CID 2179861
N-(2-chloro-6-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 44721323
4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid
CID 174840347

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide (CID 70561560) is N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide is O=C(Nc1ccc(Cc2ccc(NC(=O)c3cc4ccccc4cc3O)c(Cl)c2)cc1Cl)c1cc2ccccc2cc1O.
What is the InChIKey of N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is WAUWGCWLHIKZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24Cl2N2O4/c36-28-14-20(9-11-30(28)38-34(42)26-16-22-5-1-3-7-24(22)18-32(26)40)13-21-10-12-31(29(37)15-21)39-35(43)27-17-23-6-2-4-8-25(23)19-33(27)41/h1-12,14-19,40-41H,13H2,(H,38,42)(H,39,43).
What are the key properties of N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide?
N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 607.49 g/mol, XLogP of 8.81, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 70561560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).