2-chloro-N-ethyl-N-phenylpropanamide

C11H14ClNO — CID 3817326

IUPAC2-chloro-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)C(C)Cl)c1ccccc1
InChIInChI=1S/C11H14ClNO/c1-3-13(11(14)9(2)12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyGGSOFYRMISJWQI-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.67
Rot. Bonds3

About 2-chloro-N-ethyl-N-phenylpropanamide

2-chloro-N-ethyl-N-phenylpropanamide (PubChem CID 3817326) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-phenylpropanamide
PubChem CID3817326
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)C(C)Cl)c1ccccc1
InChIInChI=1S/C11H14ClNO/c1-3-13(11(14)9(2)12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyGGSOFYRMISJWQI-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-ethyl-N-phenylpropanamide?
The IUPAC name of 2-chloro-N-ethyl-N-phenylpropanamide (CID 3817326) is 2-chloro-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 2-chloro-N-ethyl-N-phenylpropanamide is CCN(C(=O)C(C)Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-ethyl-N-phenylpropanamide?
The InChIKey is GGSOFYRMISJWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-13(11(14)9(2)12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-phenylpropanamide?
2-chloro-N-ethyl-N-phenylpropanamide 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-ethyl-N-phenylpropanamide is sourced from PubChem (CID 3817326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).