(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide

C18H16F2N2O2 — CID 51606131

IUPAC(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1F)[C@@H]1CCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H16F2N2O2/c19-13-6-3-5-12(11-13)18(24)22-10-4-9-16(22)17(23)21-15-8-2-1-7-14(15)20/h1-3,5-8,11,16H,4,9-10H2,(H,21,23)/t16-/m0/s1
InChIKeyPMYDNCPPRZXSDW-INIZCTEOSA-N
MW330.33 g/mol
LogP3.21
Rot. Bonds3

About (2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide

(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 51606131) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is (2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID51606131
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1F)[C@@H]1CCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H16F2N2O2/c19-13-6-3-5-12(11-13)18(24)22-10-4-9-16(22)17(23)21-15-8-2-1-7-14(15)20/h1-3,5-8,11,16H,4,9-10H2,(H,21,23)/t16-/m0/s1
InChIKeyPMYDNCPPRZXSDW-INIZCTEOSA-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
(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606152
1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 46756299
(2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 92668317
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 92664892
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 46756263
(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 51606138
1-(3-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 46757142
1-(3-fluorobenzoyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 3902070

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide (CID 51606131) is (2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1F)[C@@H]1CCCN1C(=O)c1cccc(F)c1.
What is the InChIKey of (2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is PMYDNCPPRZXSDW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c19-13-6-3-5-12(11-13)18(24)22-10-4-9-16(22)17(23)21-15-8-2-1-7-14(15)20/h1-3,5-8,11,16H,4,9-10H2,(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
(2S)-1-(3-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 (2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51606131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).