2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide

C13H17ClN2O2 — CID 78768765

IUPAC2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
SMILESCC(=O)NC(C)C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-9(15-10(2)17)13(18)16(3)8-11-4-6-12(14)7-5-11/h4-7,9H,8H2,1-3H3,(H,15,17)
InChIKeyWTMQNXFACUOFSA-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.82
Rot. Bonds4

About 2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide

2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide (PubChem CID 78768765) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
PubChem CID78768765
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
SMILESCC(=O)NC(C)C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-9(15-10(2)17)13(18)16(3)8-11-4-6-12(14)7-5-11/h4-7,9H,8H2,1-3H3,(H,15,17)
InChIKeyWTMQNXFACUOFSA-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-acetamidopropanoyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 119193678
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55347038
N-benzyl-2-(4-chloroanilino)-N-methylpropanamide
CID 78786179
2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 78769021
2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 18114298
2-amino-3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179376
(2R)-2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010517
2-chloro-N-[(2S)-1-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-1-oxopropan-2-yl]benzamide
CID 8965792
2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide
CID 78771053
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
(2S,3R)-2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]-3-hydroxybutanoic acid
CID 104965970
2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55739220

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide (CID 78768765) is 2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide is CC(=O)NC(C)C(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The InChIKey is WTMQNXFACUOFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(15-10(2)17)13(18)16(3)8-11-4-6-12(14)7-5-11/h4-7,9H,8H2,1-3H3,(H,15,17).
What are the key properties of 2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide has a molecular weight of 268.74 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 78768765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).