N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C12H13F3N2O — CID 11701623

IUPACN-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCCN1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)8-3-5-9(6-4-8)17-11(18)10-2-1-7-16-10/h3-6,10,16H,1-2,7H2,(H,17,18)
InChIKeyNWVJUMHYKBJUIG-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.40
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 11701623) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID11701623
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC NameN-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCCN1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)8-3-5-9(6-4-8)17-11(18)10-2-1-7-16-10/h3-6,10,16H,1-2,7H2,(H,17,18)
InChIKeyNWVJUMHYKBJUIG-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-[6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyridinyl]pyrrolidine-2-carboxamide
CID 143190836
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 65490023
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide
CID 119301878
(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 66478130
(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119671263
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 11701623) is N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1CCCN1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is NWVJUMHYKBJUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)8-3-5-9(6-4-8)17-11(18)10-2-1-7-16-10/h3-6,10,16H,1-2,7H2,(H,17,18).
What are the key properties of N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11701623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).