N-benzyl-2-chloro-N-methylacetamide

C10H12ClNO — CID 4639192

IUPACN-benzyl-2-chloro-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C10H12ClNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyCRKXYFYKAPEYAC-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.88
Rot. Bonds3

About N-benzyl-2-chloro-N-methylacetamide

N-benzyl-2-chloro-N-methylacetamide (PubChem CID 4639192) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-methylacetamide
PubChem CID4639192
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC NameN-benzyl-2-chloro-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C10H12ClNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyCRKXYFYKAPEYAC-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-methylacetamide?
The IUPAC name of N-benzyl-2-chloro-N-methylacetamide (CID 4639192) is N-benzyl-2-chloro-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-chloro-N-methylacetamide?
The canonical SMILES for N-benzyl-2-chloro-N-methylacetamide is CN(Cc1ccccc1)C(=O)CCl.
What is the InChIKey of N-benzyl-2-chloro-N-methylacetamide?
The InChIKey is CRKXYFYKAPEYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of N-benzyl-2-chloro-N-methylacetamide?
N-benzyl-2-chloro-N-methylacetamide has a molecular weight of 197.66 g/mol, XLogP of 1.88, 3 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-methylacetamide is sourced from PubChem (CID 4639192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).