3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide

C24H19N3O2 — CID 137389574

IUPAC3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccccc2)cc2ccccc2c1/N=N/c1ccccc1
InChIInChI=1S/C24H19N3O2/c1-29-23-21(24(28)25-18-11-4-2-5-12-18)16-17-10-8-9-15-20(17)22(23)27-26-19-13-6-3-7-14-19/h2-16H,1H3,(H,25,28)/b27-26+
InChIKeyCHSSNKANSYWLFE-CYYJNZCTSA-N
MW381.44 g/mol
LogP6.52
Rot. Bonds5

About 3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide

3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide (PubChem CID 137389574) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide
PubChem CID137389574
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccccc2)cc2ccccc2c1/N=N/c1ccccc1
InChIInChI=1S/C24H19N3O2/c1-29-23-21(24(28)25-18-11-4-2-5-12-18)16-17-10-8-9-15-20(17)22(23)27-26-19-13-6-3-7-14-19/h2-16H,1H3,(H,25,28)/b27-26+
InChIKeyCHSSNKANSYWLFE-CYYJNZCTSA-N
XLogP6.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 177440661
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
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
N-[3-chloro-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 177482631
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
3-methoxy-4-[[4-(N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino)phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide
CID 88553810
N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 3798515
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
3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane
CID 162195447
bis(1-[(5-tert-butyl-2-oxidophenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate);hydron;iron(3+)
CID 138394542
methyl 4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 1258829
3-methoxy-4-[[4-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]-N-[4-[[2-methoxy-3-[(4-methoxyphenyl)-methylcarbamoyl]naphthalen-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(4-methoxyphenyl)-N-methylnaphthalene-2-carboxamide
CID 88553808

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide (CID 137389574) is 3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide is COc1c(C(=O)Nc2ccccc2)cc2ccccc2c1/N=N/c1ccccc1.
What is the InChIKey of 3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide?
The InChIKey is CHSSNKANSYWLFE-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-29-23-21(24(28)25-18-11-4-2-5-12-18)16-17-10-8-9-15-20(17)22(23)27-26-19-13-6-3-7-14-19/h2-16H,1H3,(H,25,28)/b27-26+.
What are the key properties of 3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide?
3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide is sourced from PubChem (CID 137389574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).