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

C18H14F4N2O2 — CID 92664975

IUPAC(2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H14F4N2O2/c19-11-5-3-10(4-6-11)18(26)24-9-1-2-14(24)17(25)23-13-8-7-12(20)15(21)16(13)22/h3-8,14H,1-2,9H2,(H,23,25)/t14-/m1/s1
InChIKeyVOOUFBSBETWBID-CQSZACIVSA-N
MW366.31 g/mol
LogP3.49
Rot. Bonds3

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

(2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 92664975) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is (2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
PubChem CID92664975
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name(2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C18H14F4N2O2/c19-11-5-3-10(4-6-11)18(26)24-9-1-2-14(24)17(25)23-13-8-7-12(20)15(21)16(13)22/h3-8,14H,1-2,9H2,(H,23,25)/t14-/m1/s1
InChIKeyVOOUFBSBETWBID-CQSZACIVSA-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-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 92668317
1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 46756299
(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 51937320
1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 24534971
(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 92664892
tert-butyl (2R)-2-[(2,3,4-trifluorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 94920536
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46745579
N-(2-bromo-4-fluorophenyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 112835545
(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51606131
1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 46756263

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide (CID 92664975) is (2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is VOOUFBSBETWBID-CQSZACIVSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c19-11-5-3-10(4-6-11)18(26)24-9-1-2-14(24)17(25)23-13-8-7-12(20)15(21)16(13)22/h3-8,14H,1-2,9H2,(H,23,25)/t14-/m1/s1.
What are the key properties of (2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide?
(2R)-1-(4-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 (2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 92664975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).