3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide

C14H17ClN2O — CID 76946339

IUPAC3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NCC1CCCN1
InChIInChI=1S/C14H17ClN2O/c15-12-6-3-11(4-7-12)5-8-14(18)17-10-13-2-1-9-16-13/h3-8,13,16H,1-2,9-10H2,(H,17,18)
InChIKeyFGGPBZQSMAOSIR-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.22
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide

3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide (PubChem CID 76946339) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
PubChem CID76946339
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NCC1CCCN1
InChIInChI=1S/C14H17ClN2O/c15-12-6-3-11(4-7-12)5-8-14(18)17-10-13-2-1-9-16-13/h3-8,13,16H,1-2,9-10H2,(H,17,18)
InChIKeyFGGPBZQSMAOSIR-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 76922751
(E)-3-(4-chlorophenyl)-N-(pyrrolidin-3-ylmethyl)prop-2-enamide
CID 80562970
(E)-3-(4-fluorophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide
CID 104972055
(E)-3-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 825443
(E)-3-(4-methoxyphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-enamide
CID 104955250
(E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106627267
(E)-3-(4-nitrophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]prop-2-enamide
CID 104971706
3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide
CID 76948159
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719
N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 76922768
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide (CID 76946339) is 3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)NCC1CCCN1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The InChIKey is FGGPBZQSMAOSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-6-3-11(4-7-12)5-8-14(18)17-10-13-2-1-9-16-13/h3-8,13,16H,1-2,9-10H2,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide has a molecular weight of 264.76 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 76946339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).