1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C18H15ClF4N2O — CID 75218836

IUPAC1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClF4N2O/c19-11-3-6-13(7-4-11)25-9-1-2-16(25)17(26)24-12-5-8-15(20)14(10-12)18(21,22)23/h3-8,10,16H,1-2,9H2,(H,24,26)
InChIKeyMTQORYQSTQPQNX-UHFFFAOYSA-N
MW386.78 g/mol
LogP5.11
Rot. Bonds3

About 1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 75218836) has the molecular formula C18H15ClF4N2O and a molecular weight of 386.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID75218836
Molecular FormulaC18H15ClF4N2O
Molecular Weight386.78 g/mol
Exact Mass386.08
IUPAC Name1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClF4N2O/c19-11-3-6-13(7-4-11)25-9-1-2-16(25)17(26)24-12-5-8-15(20)14(10-12)18(21,22)23/h3-8,10,16H,1-2,9H2,(H,24,26)
InChIKeyMTQORYQSTQPQNX-UHFFFAOYSA-N
XLogP5.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.78
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide
CID 46843504
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
N-(3-chloro-4-fluorophenyl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide
CID 6262789
1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 73329476
N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 3652452
(2S)-N-(4-chlorophenyl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide
CID 7121496
(2S)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 175520732
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 1487039
(2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 88530997

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 75218836) is 1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCCN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is MTQORYQSTQPQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF4N2O/c19-11-3-6-13(7-4-11)25-9-1-2-16(25)17(26)24-12-5-8-15(20)14(10-12)18(21,22)23/h3-8,10,16H,1-2,9H2,(H,24,26).
What are the key properties of 1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 386.78 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75218836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).