(2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide

C18H14F4N2O2 — CID 92668317

IUPAC(2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H14F4N2O2/c19-11-4-1-3-10(9-11)18(26)24-8-2-5-14(24)17(25)23-13-7-6-12(20)15(21)16(13)22/h1,3-4,6-7,9,14H,2,5,8H2,(H,23,25)/t14-/m0/s1
InChIKeyYAHAKBOJVVDBPZ-AWEZNQCLSA-N
MW366.31 g/mol
LogP3.49
Rot. Bonds3

About (2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide

(2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 92668317) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is (2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
PubChem CID92668317
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name(2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H14F4N2O2/c19-11-4-1-3-10(9-11)18(26)24-8-2-5-14(24)17(25)23-13-7-6-12(20)15(21)16(13)22/h1,3-4,6-7,9,14H,2,5,8H2,(H,23,25)/t14-/m0/s1
InChIKeyYAHAKBOJVVDBPZ-AWEZNQCLSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.49
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

(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
(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606152
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 51937320
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 51606138
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
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
1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 46756299

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide (CID 92668317) is (2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCCN1C(=O)c1cccc(F)c1.
What is the InChIKey of (2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is YAHAKBOJVVDBPZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c19-11-4-1-3-10(9-11)18(26)24-8-2-5-14(24)17(25)23-13-7-6-12(20)15(21)16(13)22/h1,3-4,6-7,9,14H,2,5,8H2,(H,23,25)/t14-/m0/s1.
What are the key properties of (2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide?
(2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 366.31 g/mol, XLogP of 3.49, 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-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 92668317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).