3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide

C14H11ClN2O4 — CID 107745088

IUPAC3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C14H11ClN2O4/c1-8-10(3-2-4-11(8)15)14(19)16-12-6-5-9(17(20)21)7-13(12)18/h2-7,18H,1H3,(H,16,19)
InChIKeyMSHGRDSXWUHCQU-UHFFFAOYSA-N
MW306.70 g/mol
LogP3.51
Rot. Bonds3

About 3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide

3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide (PubChem CID 107745088) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.70 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide
PubChem CID107745088
Molecular FormulaC14H11ClN2O4
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C14H11ClN2O4/c1-8-10(3-2-4-11(8)15)14(19)16-12-6-5-9(17(20)21)7-13(12)18/h2-7,18H,1H3,(H,16,19)
InChIKeyMSHGRDSXWUHCQU-UHFFFAOYSA-N
XLogP3.51
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide 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-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
CID 108798714
N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
CID 103863236
N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
CID 4674199
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
3-[(2-chloro-4-nitrobenzoyl)amino]-2-methylbenzoic acid
CID 28671552
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide
CID 19474478
4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide
CID 107745266
4-chloro-N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-5-carboxamide
CID 19476028
N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474180

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide (CID 107745088) is 3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide?
The InChIKey is MSHGRDSXWUHCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-8-10(3-2-4-11(8)15)14(19)16-12-6-5-9(17(20)21)7-13(12)18/h2-7,18H,1H3,(H,16,19).
What are the key properties of 3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide?
3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide has a molecular weight of 306.70 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide is sourced from PubChem (CID 107745088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).