N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide

C19H25F3N2O — CID 11631726

IUPACN-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(C1CCCCCC1)[C@@H]1CCNC1
InChIInChI=1S/C19H25F3N2O/c20-19(21,22)17-10-6-5-9-16(17)18(25)24(15-11-12-23-13-15)14-7-3-1-2-4-8-14/h5-6,9-10,14-15,23H,1-4,7-8,11-13H2/t15-/m1/s1
InChIKeyLCTMCFKGIQCYOO-OAHLLOKOSA-N
MW354.42 g/mol
LogP4.23
Rot. Bonds3

About N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide

N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide (PubChem CID 11631726) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
PubChem CID11631726
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC NameN-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(C1CCCCCC1)[C@@H]1CCNC1
InChIInChI=1S/C19H25F3N2O/c20-19(21,22)17-10-6-5-9-16(17)18(25)24(15-11-12-23-13-15)14-7-3-1-2-4-8-14/h5-6,9-10,14-15,23H,1-4,7-8,11-13H2/t15-/m1/s1
InChIKeyLCTMCFKGIQCYOO-OAHLLOKOSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68913357
N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 11610012
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone
CID 116568380
2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116583505
(E)-but-2-enedioic acid;(3S)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69061108
tert-butyl (3S)-3-[cyclohexyl-[2-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 58646901
cyclobutyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724140
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 66212172
(2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 59376260
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 63636998

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide (CID 11631726) is N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide is O=C(c1ccccc1C(F)(F)F)N(C1CCCCCC1)[C@@H]1CCNC1.
What is the InChIKey of N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is LCTMCFKGIQCYOO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25F3N2O/c20-19(21,22)17-10-6-5-9-16(17)18(25)24(15-11-12-23-13-15)14-7-3-1-2-4-8-14/h5-6,9-10,14-15,23H,1-4,7-8,11-13H2/t15-/m1/s1.
What are the key properties of N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 354.42 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 11631726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).