3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide

C12H16ClNO — CID 82110151

IUPAC3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)CCCl)cc1
InChIInChI=1S/C12H16ClNO/c1-10-2-4-11(5-3-10)7-9-14-12(15)6-8-13/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeySNKMGTDSCHCBSX-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.28
Rot. Bonds5

About 3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide

3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide (PubChem CID 82110151) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
PubChem CID82110151
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)CCCl)cc1
InChIInChI=1S/C12H16ClNO/c1-10-2-4-11(5-3-10)7-9-14-12(15)6-8-13/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeySNKMGTDSCHCBSX-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.28
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'-hydroxy-N-[2-(4-methylphenyl)ethyl]butanediamide
CID 162387640
3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide
CID 115162612
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
N-[2-(4-methylphenyl)ethyl]-3-oxobutanamide
CID 115176502
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 120610880
3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115162634
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
3-chloro-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115162661

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide (CID 82110151) is 3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide is Cc1ccc(CCNC(=O)CCCl)cc1.
What is the InChIKey of 3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is SNKMGTDSCHCBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-10-2-4-11(5-3-10)7-9-14-12(15)6-8-13/h2-5H,6-9H2,1H3,(H,14,15).
What are the key properties of 3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide?
3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 225.72 g/mol, XLogP of 2.28, 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-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 82110151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).