N-benzyl-2-chloro-N-(3-methylphenyl)acetamide

C16H16ClNO — CID 2455004

IUPACN-benzyl-2-chloro-N-(3-methylphenyl)acetamide
SMILESCc1cccc(N(Cc2ccccc2)C(=O)CCl)c1
InChIInChI=1S/C16H16ClNO/c1-13-6-5-9-15(10-13)18(16(19)11-17)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyFKHCQUXRYRIDMR-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.77
Rot. Bonds4

About N-benzyl-2-chloro-N-(3-methylphenyl)acetamide

N-benzyl-2-chloro-N-(3-methylphenyl)acetamide (PubChem CID 2455004) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(3-methylphenyl)acetamide
PubChem CID2455004
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-benzyl-2-chloro-N-(3-methylphenyl)acetamide
SMILESCc1cccc(N(Cc2ccccc2)C(=O)CCl)c1
InChIInChI=1S/C16H16ClNO/c1-13-6-5-9-15(10-13)18(16(19)11-17)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyFKHCQUXRYRIDMR-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-2-chloro-N-(3-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(3-methylphenyl)acetamide?
The IUPAC name of N-benzyl-2-chloro-N-(3-methylphenyl)acetamide (CID 2455004) is N-benzyl-2-chloro-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-benzyl-2-chloro-N-(3-methylphenyl)acetamide is Cc1cccc(N(Cc2ccccc2)C(=O)CCl)c1.
What is the InChIKey of N-benzyl-2-chloro-N-(3-methylphenyl)acetamide?
The InChIKey is FKHCQUXRYRIDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-13-6-5-9-15(10-13)18(16(19)11-17)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3.
What are the key properties of N-benzyl-2-chloro-N-(3-methylphenyl)acetamide?
N-benzyl-2-chloro-N-(3-methylphenyl)acetamide has a molecular weight of 273.76 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2455004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).