N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide

C17H21F3N2O — CID 44517677

IUPACN-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1
InChIInChI=1S/C17H21F3N2O/c18-17(19,20)15-7-2-1-6-14(15)16(23)22(11-12-4-3-5-12)13-8-9-21-10-13/h1-2,6-7,12-13,21H,3-5,8-11H2/t13-/m0/s1
InChIKeySWADTMSKMJUFBO-ZDUSSCGKSA-N
MW326.36 g/mol
LogP3.31
Rot. Bonds4

About N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide

N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide (PubChem CID 44517677) has the molecular formula C17H21F3N2O and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
PubChem CID44517677
Molecular FormulaC17H21F3N2O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC NameN-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1
InChIInChI=1S/C17H21F3N2O/c18-17(19,20)15-7-2-1-6-14(15)16(23)22(11-12-4-3-5-12)13-8-9-21-10-13/h1-2,6-7,12-13,21H,3-5,8-11H2/t13-/m0/s1
InChIKeySWADTMSKMJUFBO-ZDUSSCGKSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclobutylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide (CID 44517677) is N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide is O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is SWADTMSKMJUFBO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21F3N2O/c18-17(19,20)15-7-2-1-6-14(15)16(23)22(11-12-4-3-5-12)13-8-9-21-10-13/h1-2,6-7,12-13,21H,3-5,8-11H2/t13-/m0/s1.
What are the key properties of N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 326.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 44517677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).