N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide

C19H23F3N2O — CID 11610012

IUPACN-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(C1CC2CCC1C2)[C@H]1CCNC1
InChIInChI=1S/C19H23F3N2O/c20-19(21,22)16-4-2-1-3-15(16)18(25)24(14-7-8-23-11-14)17-10-12-5-6-13(17)9-12/h1-4,12-14,17,23H,5-11H2/t12?,13?,14-,17?/m0/s1
InChIKeyDRIWRZYKGWDVJX-XJIRZWNVSA-N
MW352.40 g/mol
LogP3.70
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide

N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide (PubChem CID 11610012) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
PubChem CID11610012
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(C1CC2CCC1C2)[C@H]1CCNC1
InChIInChI=1S/C19H23F3N2O/c20-19(21,22)16-4-2-1-3-15(16)18(25)24(14-7-8-23-11-14)17-10-12-5-6-13(17)9-12/h1-4,12-14,17,23H,5-11H2/t12?,13?,14-,17?/m0/s1
InChIKeyDRIWRZYKGWDVJX-XJIRZWNVSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 11631726
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-2-methoxy-N-pyrrolidin-3-ylbenzamide
CID 72991368
pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone
CID 116568380
2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116583505
N-[(1S,5R)-3-bicyclo[3.2.0]heptanyl]-2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11588392
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 66212172
2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68913357
(2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 59376260
N-methyl-N-pyrrolidin-3-yl-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119552820
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 120943463
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 120555735

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide (CID 11610012) is N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide is O=C(c1ccccc1C(F)(F)F)N(C1CC2CCC1C2)[C@H]1CCNC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is DRIWRZYKGWDVJX-XJIRZWNVSA-N. The full InChI is InChI=1S/C19H23F3N2O/c20-19(21,22)16-4-2-1-3-15(16)18(25)24(14-7-8-23-11-14)17-10-12-5-6-13(17)9-12/h1-4,12-14,17,23H,5-11H2/t12?,13?,14-,17?/m0/s1.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 352.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 11610012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).