N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide

C17H24ClNO — CID 63391778

IUPACN-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N(CCCl)C2CCCC2)cc1
InChIInChI=1S/C17H24ClNO/c1-14-6-8-15(9-7-14)10-11-17(20)19(13-12-18)16-4-2-3-5-16/h6-9,16H,2-5,10-13H2,1H3
InChIKeyCXQWVRXFTKBDJQ-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.94
Rot. Bonds6

About N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide

N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide (PubChem CID 63391778) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide
PubChem CID63391778
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N(CCCl)C2CCCC2)cc1
InChIInChI=1S/C17H24ClNO/c1-14-6-8-15(9-7-14)10-11-17(20)19(13-12-18)16-4-2-3-5-16/h6-9,16H,2-5,10-13H2,1H3
InChIKeyCXQWVRXFTKBDJQ-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide
CID 102871873
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
2-[2-[2-[2-[2-[2-[cyclohexyl-[3-(4-methylphenyl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 177240040
N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 102635327
4-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzoic acid
CID 119179256
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 63391425
2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
CID 102872883
N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide
CID 102873861

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide (CID 63391778) is N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)N(CCCl)C2CCCC2)cc1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide?
The InChIKey is CXQWVRXFTKBDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-14-6-8-15(9-7-14)10-11-17(20)19(13-12-18)16-4-2-3-5-16/h6-9,16H,2-5,10-13H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide?
N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide has a molecular weight of 293.84 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 63391778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).