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

C18H17F3N2O — CID 45268478

IUPACN-phenyl-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)16-9-5-4-8-15(16)17(24)23(14-10-11-22-12-14)13-6-2-1-3-7-13/h1-9,14,22H,10-12H2/t14-/m0/s1
InChIKeyHDXRSCIIKGHXQP-AWEZNQCLSA-N
MW334.34 g/mol
LogP3.71
Rot. Bonds3

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

N-phenyl-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide (PubChem CID 45268478) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is N-phenyl-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-phenyl-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
PubChem CID45268478
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC NameN-phenyl-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(c1ccccc1C(F)(F)F)N(c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)16-9-5-4-8-15(16)17(24)23(14-10-11-22-12-14)13-6-2-1-3-7-13/h1-9,14,22H,10-12H2/t14-/m0/s1
InChIKeyHDXRSCIIKGHXQP-AWEZNQCLSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-phenyl-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-phenyl-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-phenyl-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide (CID 45268478) is N-phenyl-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-phenyl-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-phenyl-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide is O=C(c1ccccc1C(F)(F)F)N(c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of N-phenyl-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is HDXRSCIIKGHXQP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-18(20,21)16-9-5-4-8-15(16)17(24)23(14-10-11-22-12-14)13-6-2-1-3-7-13/h1-9,14,22H,10-12H2/t14-/m0/s1.
What are the key properties of N-phenyl-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide?
N-phenyl-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 334.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 45268478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).