2-(2-chlorophenyl)-N,N-dimethylacetamide

C10H12ClNO — CID 13025061

IUPAC2-(2-chlorophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C10H12ClNO/c1-12(2)10(13)7-8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3
InChIKeyMOYVPKFPPGUWJS-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.97
Rot. Bonds2

About 2-(2-chlorophenyl)-N,N-dimethylacetamide

2-(2-chlorophenyl)-N,N-dimethylacetamide (PubChem CID 13025061) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N,N-dimethylacetamide
PubChem CID13025061
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-(2-chlorophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C10H12ClNO/c1-12(2)10(13)7-8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3
InChIKeyMOYVPKFPPGUWJS-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-chlorophenyl)-N,N-dimethylacetamide (CID 13025061) is 2-(2-chlorophenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N,N-dimethylacetamide?
The InChIKey is MOYVPKFPPGUWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-12(2)10(13)7-8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N,N-dimethylacetamide?
2-(2-chlorophenyl)-N,N-dimethylacetamide has a molecular weight of 197.66 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 13025061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).