1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide

C12H13FN2O2 — CID 60659210

IUPAC1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C12H13FN2O2/c13-9-5-2-1-4-8(9)12(17)15-7-3-6-10(15)11(14)16/h1-2,4-5,10H,3,6-7H2,(H2,14,16)
InChIKeyBWWLRFKCYSLVHW-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.92
Rot. Bonds2

About 1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide

1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 60659210) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
PubChem CID60659210
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C12H13FN2O2/c13-9-5-2-1-4-8(9)12(17)15-7-3-6-10(15)11(14)16/h1-2,4-5,10H,3,6-7H2,(H2,14,16)
InChIKeyBWWLRFKCYSLVHW-UHFFFAOYSA-N
XLogP0.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
(2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606058
propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate
CID 91711961
1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 79884124
1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide
CID 107026087
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxamide
CID 62508896
N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46748924
1-(3-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 11492936
(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 92668196
(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60978270
1-(2-fluoro-4-hydroxybenzoyl)pyrrolidine-2-carbothioamide
CID 107676100

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide (CID 60659210) is 1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is BWWLRFKCYSLVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-9-5-2-1-4-8(9)12(17)15-7-3-6-10(15)11(14)16/h1-2,4-5,10H,3,6-7H2,(H2,14,16).
What are the key properties of 1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide?
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 236.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60659210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).