1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

C17H16ClN3O2 — CID 86805093

IUPAC1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(N2CCCC2C(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C17H16ClN3O2/c18-15-9-13(6-5-12(15)10-19)21-7-1-4-16(21)17(22)20-11-14-3-2-8-23-14/h2-3,5-6,8-9,16H,1,4,7,11H2,(H,20,22)
InChIKeyFBHWLTJZAXFNKI-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.09
Rot. Bonds4

About 1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 86805093) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID86805093
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(N2CCCC2C(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C17H16ClN3O2/c18-15-9-13(6-5-12(15)10-19)21-7-1-4-16(21)17(22)20-11-14-3-2-8-23-14/h2-3,5-6,8-9,16H,1,4,7,11H2,(H,20,22)
InChIKeyFBHWLTJZAXFNKI-UHFFFAOYSA-N
XLogP3.09
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-cyano-4-nitrophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95625602
(2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 99636817
(2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 99636781
(2R)-N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxamide
CID 125142082
(2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38774108
1-(3-chloro-4-cyanophenyl)-N-[1-(methylamino)ethyl]piperidine-2-carboxamide
CID 145422975
4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile
CID 55256246
N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide
CID 91644166
N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 86805078
(2R)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 99636768
1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 55598353
1-(3-fluoro-2-pyridinyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86805094

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 86805093) is 1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is N#Cc1ccc(N2CCCC2C(=O)NCc2ccco2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is FBHWLTJZAXFNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-15-9-13(6-5-12(15)10-19)21-7-1-4-16(21)17(22)20-11-14-3-2-8-23-14/h2-3,5-6,8-9,16H,1,4,7,11H2,(H,20,22).
What are the key properties of 1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 86805093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).