1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide

C18H16F2N2O2 — CID 46756299

IUPAC1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O2/c19-13-9-7-12(8-10-13)18(24)22-11-3-6-16(22)17(23)21-15-5-2-1-4-14(15)20/h1-2,4-5,7-10,16H,3,6,11H2,(H,21,23)
InChIKeyRORMKTSMIGJDNW-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.21
Rot. Bonds3

About 1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide

1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 46756299) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID46756299
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O2/c19-13-9-7-12(8-10-13)18(24)22-11-3-6-16(22)17(23)21-15-5-2-1-4-14(15)20/h1-2,4-5,7-10,16H,3,6,11H2,(H,21,23)
InChIKeyRORMKTSMIGJDNW-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 92664892
(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51606131
(2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 92664975
1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 46756263
N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46745579
2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3230233
(2R)-1-benzoyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 51605166
(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606152
1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide
CID 46756268
2-methylpropyl (2S)-2-[(2-fluorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126009168

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide (CID 46756299) is 1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1F)C1CCCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is RORMKTSMIGJDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c19-13-9-7-12(8-10-13)18(24)22-11-3-6-16(22)17(23)21-15-5-2-1-4-14(15)20/h1-2,4-5,7-10,16H,3,6,11H2,(H,21,23).
What are the key properties of 1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46756299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).