N-(2-chlorophenyl)-N-methylacetamide

C9H10ClNO — CID 2735253

IUPACN-(2-chlorophenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO/c1-7(12)11(2)9-6-4-3-5-8(9)10/h3-6H,1-2H3
InChIKeySHWDMQXUSIUGJW-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.32
Rot. Bonds1

About N-(2-chlorophenyl)-N-methylacetamide

N-(2-chlorophenyl)-N-methylacetamide (PubChem CID 2735253) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-methylacetamide
PubChem CID2735253
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC NameN-(2-chlorophenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO/c1-7(12)11(2)9-6-4-3-5-8(9)10/h3-6H,1-2H3
InChIKeySHWDMQXUSIUGJW-UHFFFAOYSA-N
XLogP2.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-methylacetamide?
The IUPAC name of N-(2-chlorophenyl)-N-methylacetamide (CID 2735253) is N-(2-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-methylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-N-methylacetamide is CC(=O)N(C)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-methylacetamide?
The InChIKey is SHWDMQXUSIUGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-7(12)11(2)9-6-4-3-5-8(9)10/h3-6H,1-2H3.
What are the key properties of N-(2-chlorophenyl)-N-methylacetamide?
N-(2-chlorophenyl)-N-methylacetamide has a molecular weight of 183.64 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-methylacetamide is sourced from PubChem (CID 2735253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).