4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide

C25H19ClN2O2 — CID 4172097

IUPAC4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2ccccc2Cl)c1O
InChIInChI=1S/C25H19ClN2O2/c1-16-8-2-6-12-22(16)28-25(30)19-14-17-9-3-4-10-18(17)20(24(19)29)15-27-23-13-7-5-11-21(23)26/h2-15,29H,1H3,(H,28,30)/b27-15+
InChIKeyQUNIAGQZWWNOOV-JFLMPSFJSA-N
MW414.89 g/mol
LogP6.51
Rot. Bonds4

About 4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide

4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide (PubChem CID 4172097) has the molecular formula C25H19ClN2O2 and a molecular weight of 414.89 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
PubChem CID4172097
Molecular FormulaC25H19ClN2O2
Molecular Weight414.89 g/mol
Exact Mass414.11
IUPAC Name4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2ccccc2Cl)c1O
InChIInChI=1S/C25H19ClN2O2/c1-16-8-2-6-12-22(16)28-25(30)19-14-17-9-3-4-10-18(17)20(24(19)29)15-27-23-13-7-5-11-21(23)26/h2-15,29H,1H3,(H,28,30)/b27-15+
InChIKeyQUNIAGQZWWNOOV-JFLMPSFJSA-N
XLogP6.51
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)imino-N-(2-methylphenyl)chromene-3-carboxamide
CID 51367890
4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 1354025
N-(2-chlorophenyl)-3-hydroxy-4-(methyldiazenyl)naphthalene-2-carboxamide
CID 135731643
1-hydroxy-4-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 20719420
5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide
CID 17101827
3-hydroxy-N-(2-methoxyphenyl)-4-methylnaphthalene-2-carboxamide
CID 59945088
N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide
CID 135970928
1-chloro-N-(2-methylphenyl)isoquinoline-3-carboxamide
CID 43342754
4-[(2-chloro-3-methylphenyl)diazenyl]-N-[4-[[4-[(2-chloro-3-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136854780
2-chloro-3-[[3-[(3-chloro-2-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-methylbenzenesulfonic acid
CID 136855330
4-chloro-5-[[3-[(2-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-2-methylbenzenesulfonic acid
CID 136708215
4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline
CID 145160136

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide (CID 4172097) is 4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide is Cc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2ccccc2Cl)c1O.
What is the InChIKey of 4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is QUNIAGQZWWNOOV-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H19ClN2O2/c1-16-8-2-6-12-22(16)28-25(30)19-14-17-9-3-4-10-18(17)20(24(19)29)15-27-23-13-7-5-11-21(23)26/h2-15,29H,1H3,(H,28,30)/b27-15+.
What are the key properties of 4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide?
4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 6.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 4172097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).