N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride

C12H20ClF3N2O — CID 119701141

IUPACN-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCC(C(F)(F)F)C1)C1CCNC1
InChIInChI=1S/C12H19F3N2O.ClH/c13-12(14,15)9-2-1-3-10(6-9)17-11(18)8-4-5-16-7-8;/h8-10,16H,1-7H2,(H,17,18);1H
InChIKeyJKBNLUGMVZWLKK-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.26
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119701141) has the molecular formula C12H20ClF3N2O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119701141
Molecular FormulaC12H20ClF3N2O
Molecular Weight300.75 g/mol
Exact Mass300.12
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCC(C(F)(F)F)C1)C1CCNC1
InChIInChI=1S/C12H19F3N2O.ClH/c13-12(14,15)9-2-1-3-10(6-9)17-11(18)8-4-5-16-7-8;/h8-10,16H,1-7H2,(H,17,18);1H
InChIKeyJKBNLUGMVZWLKK-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 81124272
N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119426864
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
CID 94606396
N-(3-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119775883
4-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 55517058
N-[3-(piperidine-4-carbonylamino)cyclohexyl]piperidine-4-carboxamide
CID 171722600
(3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 171930235
(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 79731027
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106995136
cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124833159
N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107585035

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119701141) is N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NC1CCCC(C(F)(F)F)C1)C1CCNC1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is JKBNLUGMVZWLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O.ClH/c13-12(14,15)9-2-1-3-10(6-9)17-11(18)8-4-5-16-7-8;/h8-10,16H,1-7H2,(H,17,18);1H.
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 300.75 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119701141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).