2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide

C19H21ClN2O2 — CID 110615712

IUPAC2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-19(2,13-8-10-14(20)11-9-13)12-17(23)22-16-7-5-4-6-15(16)18(24)21-3/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyVSVBJYTZESBKQQ-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.01
Rot. Bonds5

About 2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide

2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide (PubChem CID 110615712) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide
PubChem CID110615712
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-19(2,13-8-10-14(20)11-9-13)12-17(23)22-16-7-5-4-6-15(16)18(24)21-3/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyVSVBJYTZESBKQQ-UHFFFAOYSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-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

5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide
CID 110024808
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
3-(4-chlorophenyl)-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)butanamide
CID 110309247
N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide
CID 22137650
2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 110606621
2-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]-N-methylbenzamide
CID 16566015
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543562
N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825949
N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide
CID 78957981
2-amino-5-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43574314

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide (CID 110615712) is 2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)CC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide?
The InChIKey is VSVBJYTZESBKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-19(2,13-8-10-14(20)11-9-13)12-17(23)22-16-7-5-4-6-15(16)18(24)21-3/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide?
2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide has a molecular weight of 344.84 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 110615712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).