2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide

C14H10Cl2N2O3 — CID 4534169

IUPAC2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c1-8-5-6-9(18(20)21)7-12(8)17-14(19)13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H,17,19)
InChIKeyKJBISLGLOBKKGP-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.46
Rot. Bonds3

About 2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide

2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 4534169) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID4534169
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c1-8-5-6-9(18(20)21)7-12(8)17-14(19)13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H,17,19)
InChIKeyKJBISLGLOBKKGP-UHFFFAOYSA-N
XLogP4.46
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-(2-methyl-5-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

3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
6-bromo-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 103874163
3-bromo-4-chloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 103841659
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
5-[(2-chlorobenzoyl)amino]-3-methyl-N-(2-methyl-5-nitrophenyl)thiophene-2-carboxamide
CID 55876008
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117
4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide
CID 55606742
3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17178933
1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
CID 5122789

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide (CID 4534169) is 2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is KJBISLGLOBKKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-8-5-6-9(18(20)21)7-12(8)17-14(19)13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H,17,19).
What are the key properties of 2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide?
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide has a molecular weight of 325.15 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 4534169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).