2-chloro-N,N-dimethyl-2-phenylacetamide

C10H12ClNO — CID 4962671

IUPAC2-chloro-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C10H12ClNO/c1-12(2)10(13)9(11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeySQBWHYPWUXGGKX-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.05
Rot. Bonds2

About 2-chloro-N,N-dimethyl-2-phenylacetamide

2-chloro-N,N-dimethyl-2-phenylacetamide (PubChem CID 4962671) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-2-phenylacetamide
PubChem CID4962671
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-chloro-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C10H12ClNO/c1-12(2)10(13)9(11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeySQBWHYPWUXGGKX-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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 2-chloro-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of 2-chloro-N,N-dimethyl-2-phenylacetamide (CID 4962671) is 2-chloro-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N,N-dimethyl-2-phenylacetamide?
The InChIKey is SQBWHYPWUXGGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-12(2)10(13)9(11)8-6-4-3-5-7-8/h3-7,9H,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-2-phenylacetamide?
2-chloro-N,N-dimethyl-2-phenylacetamide has a molecular weight of 197.66 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 4962671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).