3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide

C14H11ClN2O4 — CID 107743838

IUPAC3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1cccc(CCl)c1
InChIInChI=1S/C14H11ClN2O4/c15-8-9-2-1-3-10(6-9)14(19)16-12-5-4-11(17(20)21)7-13(12)18/h1-7,18H,8H2,(H,16,19)
InChIKeyBIXUHGWQNBQUIY-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.29
Rot. Bonds4

About 3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide

3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide (PubChem CID 107743838) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide
PubChem CID107743838
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1cccc(CCl)c1
InChIInChI=1S/C14H11ClN2O4/c15-8-9-2-1-3-10(6-9)14(19)16-12-5-4-11(17(20)21)7-13(12)18/h1-7,18H,8H2,(H,16,19)
InChIKeyBIXUHGWQNBQUIY-UHFFFAOYSA-N
XLogP3.29
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-N-(2-hydroxy-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

4-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107743843
methyl 3-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
CID 108799749
N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide
CID 21184645
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
4-amino-3-fluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107744277
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 107745566
3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide
CID 107745088
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-amino-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744509
N-(2-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 103478723
4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 22291073

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide (CID 107743838) is 3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide?
The InChIKey is BIXUHGWQNBQUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-8-9-2-1-3-10(6-9)14(19)16-12-5-4-11(17(20)21)7-13(12)18/h1-7,18H,8H2,(H,16,19).
What are the key properties of 3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide?
3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide has a molecular weight of 306.71 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide is sourced from PubChem (CID 107743838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).