3-chloro-N-(2-phenylethyl)propanamide

C11H14ClNO — CID 9376

IUPAC3-chloro-N-(2-phenylethyl)propanamide
SMILESO=C(CCCl)NCCc1ccccc1
InChIInChI=1S/C11H14ClNO/c12-8-6-11(14)13-9-7-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)
InChIKeyBITWVVLBVUMFHU-UHFFFAOYSA-N
MW211.69 g/mol
LogP1.97
Rot. Bonds5

About 3-chloro-N-(2-phenylethyl)propanamide

3-chloro-N-(2-phenylethyl)propanamide (PubChem CID 9376) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-chloro-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-phenylethyl)propanamide
PubChem CID9376
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-chloro-N-(2-phenylethyl)propanamide
SMILESO=C(CCCl)NCCc1ccccc1
InChIInChI=1S/C11H14ClNO/c12-8-6-11(14)13-9-7-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)
InChIKeyBITWVVLBVUMFHU-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 51.97
H-Bond Donors ≤ 51
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 3-chloro-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-chloro-N-(2-phenylethyl)propanamide (CID 9376) is 3-chloro-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-chloro-N-(2-phenylethyl)propanamide is O=C(CCCl)NCCc1ccccc1.
What is the InChIKey of 3-chloro-N-(2-phenylethyl)propanamide?
The InChIKey is BITWVVLBVUMFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-8-6-11(14)13-9-7-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14).
What are the key properties of 3-chloro-N-(2-phenylethyl)propanamide?
3-chloro-N-(2-phenylethyl)propanamide has a molecular weight of 211.69 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 9376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).