N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide

C25H21N3O2 — CID 3798515

IUPACN-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3c(/N=N/c3ccccc3)c2O)c(C)c1
InChIInChI=1S/C25H21N3O2/c1-16-12-13-22(17(2)14-16)26-25(30)21-15-18-8-6-7-11-20(18)23(24(21)29)28-27-19-9-4-3-5-10-19/h3-15,29H,1-2H3,(H,26,30)/b28-27+
InChIKeyRZCANHITBQHSHB-BYYHNAKLSA-N
MW395.46 g/mol
LogP6.83
Rot. Bonds4

About N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide

N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide (PubChem CID 3798515) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
PubChem CID3798515
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3c(/N=N/c3ccccc3)c2O)c(C)c1
InChIInChI=1S/C25H21N3O2/c1-16-12-13-22(17(2)14-16)26-25(30)21-15-18-8-6-7-11-20(18)23(24(21)29)28-27-19-9-4-3-5-10-19/h3-15,29H,1-2H3,(H,26,30)/b28-27+
InChIKeyRZCANHITBQHSHB-BYYHNAKLSA-N
XLogP6.83
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 56.83
H-Bond Donors ≤ 52
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

3-[[3-[(2,4-dimethylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-hydroxybenzenesulfonate
CID 5052996
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
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
4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 136620067
ethyl 2-[[3-[[4-[[4-[(2-ethoxycarbonylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2,5-dimethylphenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]benzoate
CID 136854850
methyl 3-[[3-[[2,3-diethyl-4-[[3-hydroxy-4-[(3-methoxycarbonylphenyl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]benzoate
CID 136854839
3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane
CID 162195447
4-[(4-benzamido-2-methoxy-5-methylphenyl)diazenyl]-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide
CID 3019188
N-(2-chlorophenyl)-3-hydroxy-4-(methyldiazenyl)naphthalene-2-carboxamide
CID 135731643
N-(4-acetamido-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 137119809
N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136629268
3-[[3-[[4-[[4-[(3-carboxy-6-methyl-2-propan-2-ylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2,5-dichlorophenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-methyl-2-propan-2-ylbenzoic acid
CID 151675818

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide (CID 3798515) is N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide is Cc1ccc(NC(=O)c2cc3ccccc3c(/N=N/c3ccccc3)c2O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide?
The InChIKey is RZCANHITBQHSHB-BYYHNAKLSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-16-12-13-22(17(2)14-16)26-25(30)21-15-18-8-6-7-11-20(18)23(24(21)29)28-27-19-9-4-3-5-10-19/h3-15,29H,1-2H3,(H,26,30)/b28-27+.
What are the key properties of N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide?
N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 6.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide is sourced from PubChem (CID 3798515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).