(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide

C18H15F3N2O2 — CID 51606152

IUPAC(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)[C@H]1CCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H15F3N2O2/c19-12-5-1-4-11(10-12)18(25)23-9-3-8-15(23)17(24)22-16-13(20)6-2-7-14(16)21/h1-2,4-7,10,15H,3,8-9H2,(H,22,24)/t15-/m1/s1
InChIKeyCKLPWFRXUHVVOV-OAHLLOKOSA-N
MW348.32 g/mol
LogP3.35
Rot. Bonds3

About (2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide

(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 51606152) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is (2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide
PubChem CID51606152
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)[C@H]1CCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H15F3N2O2/c19-12-5-1-4-11(10-12)18(25)23-9-3-8-15(23)17(24)22-16-13(20)6-2-7-14(16)21/h1-2,4-7,10,15H,3,8-9H2,(H,22,24)/t15-/m1/s1
InChIKeyCKLPWFRXUHVVOV-OAHLLOKOSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 46756263
(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51606131
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
(2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 92668317
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
(2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606058
(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
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92895034

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide (CID 51606152) is (2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide is O=C(Nc1c(F)cccc1F)[C@H]1CCCN1C(=O)c1cccc(F)c1.
What is the InChIKey of (2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is CKLPWFRXUHVVOV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-12-5-1-4-11(10-12)18(25)23-9-3-8-15(23)17(24)22-16-13(20)6-2-7-14(16)21/h1-2,4-7,10,15H,3,8-9H2,(H,22,24)/t15-/m1/s1.
What are the key properties of (2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide?
(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 348.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51606152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).