5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide

C16H17ClN2O — CID 62001590

IUPAC5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
SMILESCCc1ccc(N(C)C(=O)c2cc(N)ccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-11-4-7-13(8-5-11)19(2)16(20)14-10-12(18)6-9-15(14)17/h4-10H,3,18H2,1-2H3
InChIKeyGQTVHUPPUQYPLW-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.76
Rot. Bonds3

About 5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide

5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide (PubChem CID 62001590) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
PubChem CID62001590
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
SMILESCCc1ccc(N(C)C(=O)c2cc(N)ccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-11-4-7-13(8-5-11)19(2)16(20)14-10-12(18)6-9-15(14)17/h4-10H,3,18H2,1-2H3
InChIKeyGQTVHUPPUQYPLW-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide 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-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114922855
3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 66484340
2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 62161111
5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide
CID 107195557
5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
5-amino-2-chloro-N-cyclopropyl-N-methylbenzamide
CID 43264488
2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide
CID 107962236
3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
CID 62003107
ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate
CID 54969553
3-amino-N-(4-ethylphenyl)-5-methoxy-N-methylbenzamide
CID 81093516
5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide
CID 122618788

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide?
The IUPAC name of 5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide (CID 62001590) is 5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide?
The canonical SMILES for 5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide is CCc1ccc(N(C)C(=O)c2cc(N)ccc2Cl)cc1.
What is the InChIKey of 5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide?
The InChIKey is GQTVHUPPUQYPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-11-4-7-13(8-5-11)19(2)16(20)14-10-12(18)6-9-15(14)17/h4-10H,3,18H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide?
5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide is sourced from PubChem (CID 62001590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).