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

C19H19F3N2O — CID 25175785

IUPACN-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O/c1-13-5-4-6-15(11-13)23-18(25)14-7-8-17(24-9-2-3-10-24)16(12-14)19(20,21)22/h4-8,11-12H,2-3,9-10H2,1H3,(H,23,25)
InChIKeyCPHQFWZBQVNLCW-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.87
Rot. Bonds3

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

N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (PubChem CID 25175785) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
PubChem CID25175785
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC NameN-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C19H19F3N2O/c1-13-5-4-6-15(11-13)23-18(25)14-7-8-17(24-9-2-3-10-24)16(12-14)19(20,21)22/h4-8,11-12H,2-3,9-10H2,1H3,(H,23,25)
InChIKeyCPHQFWZBQVNLCW-UHFFFAOYSA-N
XLogP4.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (CID 25175785) is N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is Cc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The InChIKey is CPHQFWZBQVNLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-13-5-4-6-15(11-13)23-18(25)14-7-8-17(24-9-2-3-10-24)16(12-14)19(20,21)22/h4-8,11-12H,2-3,9-10H2,1H3,(H,23,25).
What are the key properties of N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide has a molecular weight of 348.37 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 25175785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).