N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide

C28H18Cl2N2O4 — CID 19850925

IUPACN-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(NC(=O)c2cc3ccccc3cc2O)cc1Cl)c1cc2ccccc2cc1O
InChIInChI=1S/C28H18Cl2N2O4/c29-21-14-24(32-28(36)20-10-16-6-2-4-8-18(16)12-26(20)34)22(30)13-23(21)31-27(35)19-9-15-5-1-3-7-17(15)11-25(19)33/h1-14,33-34H,(H,31,35)(H,32,36)
InChIKeyWYNJBRMPPZUUFO-UHFFFAOYSA-N
MW517.37 g/mol
LogP7.22
Rot. Bonds4

About N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide

N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 19850925) has the molecular formula C28H18Cl2N2O4 and a molecular weight of 517.37 g/mol. Its IUPAC name is N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID19850925
Molecular FormulaC28H18Cl2N2O4
Molecular Weight517.37 g/mol
Exact Mass516.06
IUPAC NameN-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(NC(=O)c2cc3ccccc3cc2O)cc1Cl)c1cc2ccccc2cc1O
InChIInChI=1S/C28H18Cl2N2O4/c29-21-14-24(32-28(36)20-10-16-6-2-4-8-18(16)12-26(20)34)22(30)13-23(21)31-27(35)19-9-15-5-1-3-7-17(15)11-25(19)33/h1-14,33-34H,(H,31,35)(H,32,36)
InChIKeyWYNJBRMPPZUUFO-UHFFFAOYSA-N
XLogP7.22
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.37
LogP ≤ 57.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide
CID 14344833
N-[2-chloro-4-[[3-chloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]methyl]phenyl]-3-hydroxynaphthalene-2-carboxamide
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3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
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sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
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CID 90477654
3-hydroxy-N-(7-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
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N-(2-chloro-6-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
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4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid
CID 174840347
3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide
CID 598391
N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 20604815
2-chloro-5-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 106501235
3-hydroxy-N-[4-(methylcarbamoyl)phenyl]naphthalene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide (CID 19850925) is N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide is O=C(Nc1cc(Cl)c(NC(=O)c2cc3ccccc3cc2O)cc1Cl)c1cc2ccccc2cc1O.
What is the InChIKey of N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is WYNJBRMPPZUUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18Cl2N2O4/c29-21-14-24(32-28(36)20-10-16-6-2-4-8-18(16)12-26(20)34)22(30)13-23(21)31-27(35)19-9-15-5-1-3-7-17(15)11-25(19)33/h1-14,33-34H,(H,31,35)(H,32,36).
What are the key properties of N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide?
N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 517.37 g/mol, XLogP of 7.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 19850925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).