N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide

C16H15ClN2O3 — CID 17102186

IUPACN-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C16H15ClN2O3/c1-3-11-4-6-12(7-5-11)16(20)18-14-9-13(17)15(19(21)22)8-10(14)2/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyPDUZMSXDVGHOEU-UHFFFAOYSA-N
MW318.76 g/mol
LogP4.37
Rot. Bonds4

About N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide

N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide (PubChem CID 17102186) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
PubChem CID17102186
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C16H15ClN2O3/c1-3-11-4-6-12(7-5-11)16(20)18-14-9-13(17)15(19(21)22)8-10(14)2/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyPDUZMSXDVGHOEU-UHFFFAOYSA-N
XLogP4.37
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 54.37
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 N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide 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

N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
CID 104668259
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 2910019
4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide
CID 17102214
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide
CID 17102201
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
CID 3683466
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 2909842
N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-4-iodobenzamide
CID 17115404
N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide
CID 53268105
N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide
CID 91687295

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide?
The IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide (CID 17102186) is N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide?
The canonical SMILES for N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1.
What is the InChIKey of N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide?
The InChIKey is PDUZMSXDVGHOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-3-11-4-6-12(7-5-11)16(20)18-14-9-13(17)15(19(21)22)8-10(14)2/h4-9H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide?
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide has a molecular weight of 318.76 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide is sourced from PubChem (CID 17102186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).