2-chloro-N-phenyl-N-propan-2-ylacetamide

C11H14ClNO — CID 4931

IUPAC2-chloro-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CCl)c1ccccc1
InChIInChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyMFOUDYKPLGXPGO-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.67
Rot. Bonds3

About 2-chloro-N-phenyl-N-propan-2-ylacetamide

2-chloro-N-phenyl-N-propan-2-ylacetamide (PubChem CID 4931) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-phenyl-N-propan-2-ylacetamide
PubChem CID4931
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CCl)c1ccccc1
InChIInChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyMFOUDYKPLGXPGO-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.67
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-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-chloro-N-phenyl-N-propan-2-ylacetamide (CID 4931) is 2-chloro-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CCl)c1ccccc1.
What is the InChIKey of 2-chloro-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is MFOUDYKPLGXPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-chloro-N-phenyl-N-propan-2-ylacetamide?
2-chloro-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 211.69 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 4931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).