N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide

C17H12ClN3O2 — CID 135970928

IUPACN-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide
SMILES[H]/N=N/c1c(O)c(C(=O)Nc2ccccc2Cl)cc2ccccc12
InChIInChI=1S/C17H12ClN3O2/c18-13-7-3-4-8-14(13)20-17(23)12-9-10-5-1-2-6-11(10)15(21-19)16(12)22/h1-9,19,22H,(H,20,23)/b21-19+
InChIKeyFAFNNJLOXAQBFY-XUTLUUPISA-N
MW325.76 g/mol
LogP5.11
Rot. Bonds3

About N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide

N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide (PubChem CID 135970928) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide
PubChem CID135970928
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC NameN-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide
SMILES[H]/N=N/c1c(O)c(C(=O)Nc2ccccc2Cl)cc2ccccc12
InChIInChI=1S/C17H12ClN3O2/c18-13-7-3-4-8-14(13)20-17(23)12-9-10-5-1-2-6-11(10)15(21-19)16(12)22/h1-9,19,22H,(H,20,23)/b21-19+
InChIKeyFAFNNJLOXAQBFY-XUTLUUPISA-N
XLogP5.11
TPSA85.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.76
LogP ≤ 55.11
H-Bond Donors ≤ 53
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

N-(2-chlorophenyl)-3-hydroxy-4-(methyldiazenyl)naphthalene-2-carboxamide
CID 135731643
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
4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 135731631
4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 4172097
2-chloro-3-[[3-[(3-chloro-2-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-ethylbenzenesulfonic acid
CID 136856416
N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015288
3-chloro-5-[[3-[(2-chloro-5-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-2-methylbenzenesulfonic acid
CID 136854981
2-chloro-3-[[3-[(3-chloro-2-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-methylbenzenesulfonic acid
CID 136855330
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
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
2,5-dichloro-1-N,4-N-bis[4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalen-2-yl]benzene-1,4-dicarboxamide
CID 135985589
3-hydroxy-N-(2-methoxyphenyl)-4-methylnaphthalene-2-carboxamide
CID 59945088

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide (CID 135970928) is N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide is [H]/N=N/c1c(O)c(C(=O)Nc2ccccc2Cl)cc2ccccc12.
What is the InChIKey of N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is FAFNNJLOXAQBFY-XUTLUUPISA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-13-7-3-4-8-14(13)20-17(23)12-9-10-5-1-2-6-11(10)15(21-19)16(12)22/h1-9,19,22H,(H,20,23)/b21-19+.
What are the key properties of N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide?
N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 325.76 g/mol, XLogP of 5.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 135970928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).