3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide

C17H17ClN2O2 — CID 7677286

IUPAC3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-12(21)19-15-8-5-7-13(10-15)17(22)20(2)11-14-6-3-4-9-16(14)18/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyAVTMRLGAVDQIRO-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.57
Rot. Bonds4

About 3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide

3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide (PubChem CID 7677286) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
PubChem CID7677286
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-12(21)19-15-8-5-7-13(10-15)17(22)20(2)11-14-6-3-4-9-16(14)18/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyAVTMRLGAVDQIRO-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-acetamido-N-[(2-chlorophenyl)methyl]-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

3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 27795286
N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31144744
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112790356
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 40726871
N-[(2-chlorophenyl)methyl]-4-hydrazinyl-N-methylbenzamide
CID 62242071
3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
CID 47163271
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113162643
N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
CID 24544336
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide
CID 51190200
N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
CID 26162876

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide (CID 7677286) is 3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide is CC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2Cl)c1.
What is the InChIKey of 3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is AVTMRLGAVDQIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12(21)19-15-8-5-7-13(10-15)17(22)20(2)11-14-6-3-4-9-16(14)18/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide?
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 316.79 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 7677286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).