3-chloro-N-methyl-N-phenylpropanamide

C10H12ClNO — CID 3314386

IUPAC3-chloro-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCCl)c1ccccc1
InChIInChI=1S/C10H12ClNO/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyZOZNUSUQHMUWGY-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.28
Rot. Bonds3

About 3-chloro-N-methyl-N-phenylpropanamide

3-chloro-N-methyl-N-phenylpropanamide (PubChem CID 3314386) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-phenylpropanamide
PubChem CID3314386
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name3-chloro-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCCl)c1ccccc1
InChIInChI=1S/C10H12ClNO/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyZOZNUSUQHMUWGY-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.28
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 3-chloro-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-chloro-N-methyl-N-phenylpropanamide (CID 3314386) is 3-chloro-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-chloro-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-chloro-N-methyl-N-phenylpropanamide is CN(C(=O)CCCl)c1ccccc1.
What is the InChIKey of 3-chloro-N-methyl-N-phenylpropanamide?
The InChIKey is ZOZNUSUQHMUWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-phenylpropanamide?
3-chloro-N-methyl-N-phenylpropanamide has a molecular weight of 197.67 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 3314386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).