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

C18H15F3N2O2 — CID 51606058

IUPAC(2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)[C@@H]1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C18H15F3N2O2/c19-12-6-2-1-5-11(12)18(25)23-10-4-9-15(23)17(24)22-16-13(20)7-3-8-14(16)21/h1-3,5-8,15H,4,9-10H2,(H,22,24)/t15-/m0/s1
InChIKeyJCYNVUXDIWTXOR-HNNXBMFYSA-N
MW348.32 g/mol
LogP3.35
Rot. Bonds3

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

(2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 51606058) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is (2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
PubChem CID51606058
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name(2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)[C@@H]1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C18H15F3N2O2/c19-12-6-2-1-5-11(12)18(25)23-10-4-9-15(23)17(24)22-16-13(20)7-3-8-14(16)21/h1-3,5-8,15H,4,9-10H2,(H,22,24)/t15-/m0/s1
InChIKeyJCYNVUXDIWTXOR-HNNXBMFYSA-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
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46748924
(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 92668196
(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606152
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210
(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 42194479
1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 42948700
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide
CID 110865260
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide (CID 51606058) is (2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide is O=C(Nc1c(F)cccc1F)[C@@H]1CCCN1C(=O)c1ccccc1F.
What is the InChIKey of (2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is JCYNVUXDIWTXOR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-12-6-2-1-5-11(12)18(25)23-10-4-9-15(23)17(24)22-16-13(20)7-3-8-14(16)21/h1-3,5-8,15H,4,9-10H2,(H,22,24)/t15-/m0/s1.
What are the key properties of (2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide?
(2S)-N-(2,6-difluorophenyl)-1-(2-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 (2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51606058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).