N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide

C17H11ClF4N2O2 — CID 113192169

IUPACN-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CC(=O)N(c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C17H11ClF4N2O2/c18-10-6-9(1-2-11(10)19)23-17(26)8-5-14(25)24(7-8)13-4-3-12(20)15(21)16(13)22/h1-4,6,8H,5,7H2,(H,23,26)
InChIKeyZZXXHQBCJDOZCK-UHFFFAOYSA-N
MW386.73 g/mol
LogP3.89
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide (PubChem CID 113192169) has the molecular formula C17H11ClF4N2O2 and a molecular weight of 386.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
PubChem CID113192169
Molecular FormulaC17H11ClF4N2O2
Molecular Weight386.73 g/mol
Exact Mass386.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CC(=O)N(c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C17H11ClF4N2O2/c18-10-6-9(1-2-11(10)19)23-17(26)8-5-14(25)24(7-8)13-4-3-12(20)15(21)16(13)22/h1-4,6,8H,5,7H2,(H,23,26)
InChIKeyZZXXHQBCJDOZCK-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.73
LogP ≤ 53.89
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

(3R)-N-(3-chloro-4-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350589
methyl 4-[[5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113192190
N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186795
N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190173
(3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 7357016
methyl 4-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189474
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155670
N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153830
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
N-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55616772
N-(4-amino-3,5-dichlorophenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55628688
(3R)-1-(2-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7304214

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide (CID 113192169) is N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CC(=O)N(c2ccc(F)c(F)c2F)C1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZZXXHQBCJDOZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N2O2/c18-10-6-9(1-2-11(10)19)23-17(26)8-5-14(25)24(7-8)13-4-3-12(20)15(21)16(13)22/h1-4,6,8H,5,7H2,(H,23,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 386.73 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113192169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).