N-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide

C19H19F3N2O2 — CID 25175463

IUPACN-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O2/c1-26-15-6-4-5-14(12-15)23-18(25)13-7-8-17(24-9-2-3-10-24)16(11-13)19(20,21)22/h4-8,11-12H,2-3,9-10H2,1H3,(H,23,25)
InChIKeyFCFCKXRIIJSOQS-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.57
Rot. Bonds4

About N-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide

N-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (PubChem CID 25175463) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
PubChem CID25175463
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O2/c1-26-15-6-4-5-14(12-15)23-18(25)13-7-8-17(24-9-2-3-10-24)16(11-13)19(20,21)22/h4-8,11-12H,2-3,9-10H2,1H3,(H,23,25)
InChIKeyFCFCKXRIIJSOQS-UHFFFAOYSA-N
XLogP4.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(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-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (CID 25175463) is N-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is COc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The InChIKey is FCFCKXRIIJSOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-26-15-6-4-5-14(12-15)23-18(25)13-7-8-17(24-9-2-3-10-24)16(11-13)19(20,21)22/h4-8,11-12H,2-3,9-10H2,1H3,(H,23,25).
What are the key properties of N-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
N-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide has a molecular weight of 364.37 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 25175463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).