4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide

C15H16FN3O — CID 119453092

IUPAC4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
SMILESO=C(NC1CCNC1)c1c[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O/c16-11-3-1-10(2-4-11)13-8-18-9-14(13)15(20)19-12-5-6-17-7-12/h1-4,8-9,12,17-18H,5-7H2,(H,19,20)
InChIKeyWPWKNBFYQPQYKY-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.91
Rot. Bonds3

About 4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide

4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide (PubChem CID 119453092) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
PubChem CID119453092
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
SMILESO=C(NC1CCNC1)c1c[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O/c16-11-3-1-10(2-4-11)13-8-18-9-14(13)15(20)19-12-5-6-17-7-12/h1-4,8-9,12,17-18H,5-7H2,(H,19,20)
InChIKeyWPWKNBFYQPQYKY-UHFFFAOYSA-N
XLogP1.91
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79687966
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451891
4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454424
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
2-(carbamoylamino)-5-(4-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11349000
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356
4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 174879133
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide (CID 119453092) is 4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide is O=C(NC1CCNC1)c1c[nH]cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide?
The InChIKey is WPWKNBFYQPQYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-11-3-1-10(2-4-11)13-8-18-9-14(13)15(20)19-12-5-6-17-7-12/h1-4,8-9,12,17-18H,5-7H2,(H,19,20).
What are the key properties of 4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide?
4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 119453092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).