N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H21F3N2O — CID 63708236

IUPACN-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)12(6-7-17-9-12)11(19)18-8-10-4-2-1-3-5-10/h10,17H,1-9H2,(H,18,19)
InChIKeySTFPMGZOQCMYHZ-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.22
Rot. Bonds3

About N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708236) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708236
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC NameN-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)12(6-7-17-9-12)11(19)18-8-10-4-2-1-3-5-10/h10,17H,1-9H2,(H,18,19)
InChIKeySTFPMGZOQCMYHZ-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106134159
N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119672528
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide
CID 176759497
N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708209
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709696
N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709149
N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79082179
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81164780

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708236) is N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCC1CCCCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is STFPMGZOQCMYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c14-13(15,16)12(6-7-17-9-12)11(19)18-8-10-4-2-1-3-5-10/h10,17H,1-9H2,(H,18,19).
What are the key properties of N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).