3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide

C15H21ClN2O — CID 119534078

IUPAC3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCCC1CCNC1
InChIInChI=1S/C15H21ClN2O/c16-14-4-1-12(2-5-14)3-6-15(19)18-10-8-13-7-9-17-11-13/h1-2,4-5,13,17H,3,6-11H2,(H,18,19)
InChIKeyJFEZQMWUNYZFGT-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.39
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide

3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide (PubChem CID 119534078) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
PubChem CID119534078
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCCC1CCNC1
InChIInChI=1S/C15H21ClN2O/c16-14-4-1-12(2-5-14)3-6-15(19)18-10-8-13-7-9-17-11-13/h1-2,4-5,13,17H,3,6-11H2,(H,18,19)
InChIKeyJFEZQMWUNYZFGT-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
3-(4-propoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119536345
3-(4-bromo-3-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119535206
3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534778
3-(4-morpholin-4-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119537712
3-(4-methoxyphenyl)-N-(2-piperidin-4-ylethyl)propanamide
CID 60902718
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 91660400
3-(4-chlorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555737
4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
CID 119557355
4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide
CID 124566306

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide (CID 119534078) is 3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide is O=C(CCc1ccc(Cl)cc1)NCCC1CCNC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide?
The InChIKey is JFEZQMWUNYZFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-14-4-1-12(2-5-14)3-6-15(19)18-10-8-13-7-9-17-11-13/h1-2,4-5,13,17H,3,6-11H2,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide?
3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide has a molecular weight of 280.80 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide is sourced from PubChem (CID 119534078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).