4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

C32H26N4O5 — CID 177440661

IUPAC4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESCOc1cc(/N=N/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)cc(OC)c1NC(=O)c1ccccc1
InChIInChI=1S/C32H26N4O5/c1-40-26-18-23(19-27(41-2)29(26)34-31(38)20-11-5-3-6-12-20)35-36-28-24-16-10-9-13-21(24)17-25(30(28)37)32(39)33-22-14-7-4-8-15-22/h3-19,37H,1-2H3,(H,33,39)(H,34,38)/b36-35+
InChIKeyGVDAGSPWVKYJBZ-ULDVOPSXSA-N
MW546.58 g/mol
LogP7.48
Rot. Bonds8

About 4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide (PubChem CID 177440661) has the molecular formula C32H26N4O5 and a molecular weight of 546.58 g/mol. Its IUPAC name is 4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
PubChem CID177440661
Molecular FormulaC32H26N4O5
Molecular Weight546.58 g/mol
Exact Mass546.19
IUPAC Name4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESCOc1cc(/N=N/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)cc(OC)c1NC(=O)c1ccccc1
InChIInChI=1S/C32H26N4O5/c1-40-26-18-23(19-27(41-2)29(26)34-31(38)20-11-5-3-6-12-20)35-36-28-24-16-10-9-13-21(24)17-25(30(28)37)32(39)33-22-14-7-4-8-15-22/h3-19,37H,1-2H3,(H,33,39)(H,34,38)/b36-35+
InChIKeyGVDAGSPWVKYJBZ-ULDVOPSXSA-N
XLogP7.48
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.58
LogP ≤ 57.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[3-[3-[[3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenoxy]phenyl]-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 163998747
3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide
CID 137389574
methyl 3-[[2-hydroxy-3-[[4-[[3-hydroxy-4-[(3-methoxycarbonylphenyl)diazenyl]naphthalene-2-carbonyl]amino]-3,5-dimethylphenyl]carbamoyl]naphthalen-1-yl]diazenyl]benzoate
CID 136854836
N-(4-acetamido-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 137119809
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
4-[(4-benzamido-2-methoxy-5-methylphenyl)diazenyl]-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide
CID 3019188
2-chloro-5-[[3-[(3-chloro-4-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-3-ethylbenzenesulfonic acid
CID 136856144
3-[[3-[(4-benzamidophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxybenzenecarboximidic acid
CID 136705063
3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide
CID 135731626
N-[2,5-diethyl-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 177438647
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
4-[[2-(dimethylcarbamoyl)-6-methoxyphenyl]diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 137293468

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide (CID 177440661) is 4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide is COc1cc(/N=N/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)cc(OC)c1NC(=O)c1ccccc1.
What is the InChIKey of 4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The InChIKey is GVDAGSPWVKYJBZ-ULDVOPSXSA-N. The full InChI is InChI=1S/C32H26N4O5/c1-40-26-18-23(19-27(41-2)29(26)34-31(38)20-11-5-3-6-12-20)35-36-28-24-16-10-9-13-21(24)17-25(30(28)37)32(39)33-22-14-7-4-8-15-22/h3-19,37H,1-2H3,(H,33,39)(H,34,38)/b36-35+.
What are the key properties of 4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide has a molecular weight of 546.58 g/mol, XLogP of 7.48, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 177440661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).