N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide

C18H14ClF3N2O2 — CID 110424566

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C18H14ClF3N2O2/c19-13-7-6-11(18(20,21)22)10-14(13)23-17(26)15-8-9-16(25)24(15)12-4-2-1-3-5-12/h1-7,10,15H,8-9H2,(H,23,26)
InChIKeyYVXAHRWUUHXDHR-UHFFFAOYSA-N
MW382.77 g/mol
LogP4.49
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide (PubChem CID 110424566) has the molecular formula C18H14ClF3N2O2 and a molecular weight of 382.77 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
PubChem CID110424566
Molecular FormulaC18H14ClF3N2O2
Molecular Weight382.77 g/mol
Exact Mass382.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C18H14ClF3N2O2/c19-13-7-6-11(18(20,21)22)10-14(13)23-17(26)15-8-9-16(25)24(15)12-4-2-1-3-5-12/h1-7,10,15H,8-9H2,(H,23,26)
InChIKeyYVXAHRWUUHXDHR-UHFFFAOYSA-N
XLogP4.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110427657
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152284
1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 110374080
N-(2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110420250
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 2212166
(1S,2R,3R,4S)-1,4,5,6,7,7-hexachloro-3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98527752
cis-(1S,2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 819921
3-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 66033051
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 110419517
(3R,9bR)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 40917108
5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 121229069
5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 110419398

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide (CID 110424566) is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCC(=O)N1c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is YVXAHRWUUHXDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O2/c19-13-7-6-11(18(20,21)22)10-14(13)23-17(26)15-8-9-16(25)24(15)12-4-2-1-3-5-12/h1-7,10,15H,8-9H2,(H,23,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 382.77 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110424566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).