N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C18H21F3N2O — CID 95180815

IUPACN-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCN(C2CC2)C1)C1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H21F3N2O/c19-18(20,21)13-3-1-2-12(10-13)17(7-8-17)16(24)22-14-6-9-23(11-14)15-4-5-15/h1-3,10,14-15H,4-9,11H2,(H,22,24)/t14-/m1/s1
InChIKeyMCTIJWPZONYOQK-CQSZACIVSA-N
MW338.37 g/mol
LogP3.09
Rot. Bonds4

About N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 95180815) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID95180815
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC NameN-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCN(C2CC2)C1)C1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H21F3N2O/c19-18(20,21)13-3-1-2-12(10-13)17(7-8-17)16(24)22-14-6-9-23(11-14)15-4-5-15/h1-3,10,14-15H,4-9,11H2,(H,22,24)/t14-/m1/s1
InChIKeyMCTIJWPZONYOQK-CQSZACIVSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[[1-(4-phenylcyclohexyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]-3-(trifluoromethyl)benzamide
CID 58751611
N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 71886913
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 99811328
[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 119561328
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110928443
N-[2-[[(3R)-1-cyclohexylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 154542142
1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 51102219
3-[1-hydroxy-4-[(3R)-3-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]pyrrolidin-1-yl]cyclohexyl]-N,N-dimethylbenzamide
CID 66787496
[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119542396
N-[2-[[1-[4-(4-acetylphenyl)-4-fluorocyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 162559759
N-[2-(4-aminophenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119549712

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 95180815) is N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(N[C@@H]1CCN(C2CC2)C1)C1(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is MCTIJWPZONYOQK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21F3N2O/c19-18(20,21)13-3-1-2-12(10-13)17(7-8-17)16(24)22-14-6-9-23(11-14)15-4-5-15/h1-3,10,14-15H,4-9,11H2,(H,22,24)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95180815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).