(2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide

C18H15F3N2O2 — CID 96510202

IUPAC(2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C18H15F3N2O2/c19-13-8-12(9-14(20)16(13)21)10-3-5-11(6-4-10)18(25)23-7-1-2-15(23)17(22)24/h3-6,8-9,15H,1-2,7H2,(H2,22,24)/t15-/m0/s1
InChIKeyPYSKWWCTQVJQEO-HNNXBMFYSA-N
MW348.32 g/mol
LogP2.86
Rot. Bonds3

About (2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide

(2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 96510202) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is (2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID96510202
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name(2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C18H15F3N2O2/c19-13-8-12(9-14(20)16(13)21)10-3-5-11(6-4-10)18(25)23-7-1-2-15(23)17(22)24/h3-6,8-9,15H,1-2,7H2,(H2,22,24)/t15-/m0/s1
InChIKeyPYSKWWCTQVJQEO-HNNXBMFYSA-N
XLogP2.86
TPSA63.40 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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 142087798
1-(4-fluoro-3-sulfanylbenzoyl)pyrrolidine-2-carboxamide
CID 107021942
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
[4-(2-carbamoylpyrrolidine-1-carbonyl)phenyl]boronic acid
CID 66853498
(2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96533912
1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63972948
1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 126785640
(2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide
CID 121495794
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone
CID 124690117
1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide
CID 110473581
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide (CID 96510202) is (2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1.
What is the InChIKey of (2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is PYSKWWCTQVJQEO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-13-8-12(9-14(20)16(13)21)10-3-5-11(6-4-10)18(25)23-7-1-2-15(23)17(22)24/h3-6,8-9,15H,1-2,7H2,(H2,22,24)/t15-/m0/s1.
What are the key properties of (2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide?
(2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 348.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 96510202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).