3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide

C15H12Cl2N2O3 — CID 17102161

IUPAC3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-8-3-4-10(6-11(8)16)15(20)18-13-7-12(17)14(19(21)22)5-9(13)2/h3-7H,1-2H3,(H,18,20)
InChIKeyCYHDNDOQRZLANR-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.77
Rot. Bonds3

About 3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide

3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide (PubChem CID 17102161) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
PubChem CID17102161
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-8-3-4-10(6-11(8)16)15(20)18-13-7-12(17)14(19(21)22)5-9(13)2/h3-7H,1-2H3,(H,18,20)
InChIKeyCYHDNDOQRZLANR-UHFFFAOYSA-N
XLogP4.77
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.77
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'}

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Related Compounds

N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
CID 104668259
N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 2910019
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 2913893
N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-4-methyl-3-nitrobenzamide
CID 22775384
N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
CID 3683466
4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide
CID 17102214
methyl 3-[(4-chloro-3-nitrobenzoyl)amino]-4-methylbenzoate
CID 1122289
N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-4-iodobenzamide
CID 17115404
3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide
CID 19630910
4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide
CID 4547924
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide?
The IUPAC name of 3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide (CID 17102161) is 3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Cl.
What is the InChIKey of 3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide?
The InChIKey is CYHDNDOQRZLANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-8-3-4-10(6-11(8)16)15(20)18-13-7-12(17)14(19(21)22)5-9(13)2/h3-7H,1-2H3,(H,18,20).
What are the key properties of 3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide?
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide has a molecular weight of 339.18 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide is sourced from PubChem (CID 17102161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).