2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide

C14H10ClN3O6 — CID 17358480

IUPAC2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide
SMILESCOc1c([N+](=O)[O-])cc(NC(=O)c2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClN3O6/c1-24-13-11(17(20)21)6-8(7-12(13)18(22)23)16-14(19)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,16,19)
InChIKeyZYXMEYZHFNFUKM-UHFFFAOYSA-N
MW351.70 g/mol
LogP3.42
Rot. Bonds5

About 2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide

2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide (PubChem CID 17358480) has the molecular formula C14H10ClN3O6 and a molecular weight of 351.70 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide
PubChem CID17358480
Molecular FormulaC14H10ClN3O6
Molecular Weight351.70 g/mol
Exact Mass351.03
IUPAC Name2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide
SMILESCOc1c([N+](=O)[O-])cc(NC(=O)c2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClN3O6/c1-24-13-11(17(20)21)6-8(7-12(13)18(22)23)16-14(19)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,16,19)
InChIKeyZYXMEYZHFNFUKM-UHFFFAOYSA-N
XLogP3.42
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.70
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(4-methoxy-3,5-dinitrophenyl)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

2-chloro-N-(4-methoxy-3,5-dinitrophenyl)-5-nitrobenzamide
CID 17358222
3,5-dichloro-4-methoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17050523
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 5304694
3-bromo-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17358287
N-(4-methoxy-3,5-dinitrophenyl)-3,4-dimethylbenzamide
CID 17050362
4-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-3-nitrobenzamide
CID 17111361
methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
CID 108785557
N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide
CID 17102198
3,4-dimethoxy-5-nitro-N-phenylbenzamide
CID 19743065
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide
CID 26593187

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide?
The IUPAC name of 2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide (CID 17358480) is 2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide is COc1c([N+](=O)[O-])cc(NC(=O)c2ccccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide?
The InChIKey is ZYXMEYZHFNFUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O6/c1-24-13-11(17(20)21)6-8(7-12(13)18(22)23)16-14(19)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,16,19).
What are the key properties of 2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide?
2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide has a molecular weight of 351.70 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide is sourced from PubChem (CID 17358480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).