5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide

C14H11ClN2O4 — CID 141401921

IUPAC5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide
SMILESCN(C(=O)c1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11ClN2O4/c1-16(10-3-5-11(6-4-10)17(20)21)14(19)12-8-9(15)2-7-13(12)18/h2-8,18H,1H3
InChIKeyWDXOYMQKNNYWEX-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.23
Rot. Bonds3

About 5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide

5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide (PubChem CID 141401921) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide
PubChem CID141401921
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide
SMILESCN(C(=O)c1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11ClN2O4/c1-16(10-3-5-11(6-4-10)17(20)21)14(19)12-8-9(15)2-7-13(12)18/h2-8,18H,1H3
InChIKeyWDXOYMQKNNYWEX-UHFFFAOYSA-N
XLogP3.23
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide 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

5-chloro-N-(4-fluorophenyl)-2-hydroxy-N-methylbenzamide
CID 61063244
4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide
CID 28889464
2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide
CID 43090842
2-chloro-N-methyl-4-nitro-N-phenylbenzamide
CID 799115
5-bromo-2-iodo-N-methyl-N-(4-nitrophenyl)benzamide
CID 103606995
5-chloro-2-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61061330
2-bromo-5-chloro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 113221937
3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide
CID 103910103
2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62982925
2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone
CID 157380629
3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 28880822
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide (CID 141401921) is 5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide is CN(C(=O)c1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide?
The InChIKey is WDXOYMQKNNYWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-16(10-3-5-11(6-4-10)17(20)21)14(19)12-8-9(15)2-7-13(12)18/h2-8,18H,1H3.
What are the key properties of 5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide?
5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide has a molecular weight of 306.71 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 141401921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).