N-benzyl-3-chloropropanamide

C10H12ClNO — CID 10391

💊View drug profile → beclamide
IUPACN-benzyl-3-chloropropanamide
SMILESO=C(CCCl)NCc1ccccc1
InChIInChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKeyJPYQFYIEOUVJDU-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.93
Rot. Bonds4

About N-benzyl-3-chloropropanamide

N-benzyl-3-chloropropanamide (PubChem CID 10391) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is N-benzyl-3-chloropropanamide.

Molecular Properties

Compound NameN-benzyl-3-chloropropanamide
PubChem CID10391
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC NameN-benzyl-3-chloropropanamide
SMILESO=C(CCCl)NCc1ccccc1
InChIInChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKeyJPYQFYIEOUVJDU-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-chloropropanamide;oxalic acid
CID 70111231
lithium;N-benzyl-3-chloropropanamide;hydride
CID 173211913
potassium;N-benzyl-3-chloropropanamide;hydride
CID 173065814
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
N'-benzylbutanediamide
CID 4682951
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-4,4-dimethylpentanamide
CID 59836653
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-benzyl-4,4-difluorobutanamide
CID 132965820
N-benzylundecanamide
CID 5078198
N-benzyl-6-oxohexanamide
CID 172715262

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloropropanamide?
The IUPAC name of N-benzyl-3-chloropropanamide (CID 10391) is N-benzyl-3-chloropropanamide.
What is the SMILES notation for N-benzyl-3-chloropropanamide?
The canonical SMILES for N-benzyl-3-chloropropanamide is O=C(CCCl)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-chloropropanamide?
The InChIKey is JPYQFYIEOUVJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13).
What are the key properties of N-benzyl-3-chloropropanamide?
N-benzyl-3-chloropropanamide has a molecular weight of 197.67 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloropropanamide is sourced from PubChem (CID 10391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).