N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide

C16H16ClNO — CID 113270900

IUPACN-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cccc(CCl)c1
InChIInChI=1S/C16H16ClNO/c1-12-5-2-3-7-14(12)10-16(19)18-15-8-4-6-13(9-15)11-17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyKGSNWHZDSLKJSU-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.92
Rot. Bonds4

About N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide

N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide (PubChem CID 113270900) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide
PubChem CID113270900
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cccc(CCl)c1
InChIInChI=1S/C16H16ClNO/c1-12-5-2-3-7-14(12)10-16(19)18-15-8-4-6-13(9-15)11-17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyKGSNWHZDSLKJSU-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide
CID 96551003
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide
CID 113270904
2,2-dimethyl-N-[3-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 26163504
N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114293210
N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 113270960
N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide
CID 62365496
N-[3-(chloromethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114293248
2-(2-methylphenyl)-N-quinoxalin-6-ylacetamide
CID 110723730
2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 60748562
N-[3-(chloromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 114293190
N-[3-(chloromethyl)phenyl]hexanamide
CID 114293212

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide (CID 113270900) is N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1cccc(CCl)c1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide?
The InChIKey is KGSNWHZDSLKJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12-5-2-3-7-14(12)10-16(19)18-15-8-4-6-13(9-15)11-17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide?
N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide has a molecular weight of 273.76 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113270900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).