N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide

C20H15F3N2O — CID 172890418

IUPACN-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)18-11-16(15-3-1-2-4-17(15)25-18)12-5-7-13(8-6-12)19(26)24-14-9-10-14/h1-8,11,14H,9-10H2,(H,24,26)
InChIKeyKNFGFQHIJZBUAF-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.81
Rot. Bonds3

About N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide

N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide (PubChem CID 172890418) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide
PubChem CID172890418
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC NameN-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)18-11-16(15-3-1-2-4-17(15)25-18)12-5-7-13(8-6-12)19(26)24-14-9-10-14/h1-8,11,14H,9-10H2,(H,24,26)
InChIKeyKNFGFQHIJZBUAF-UHFFFAOYSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide (CID 172890418) is N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cc(C(F)(F)F)nc3ccccc23)cc1.
What is the InChIKey of N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide?
The InChIKey is KNFGFQHIJZBUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O/c21-20(22,23)18-11-16(15-3-1-2-4-17(15)25-18)12-5-7-13(8-6-12)19(26)24-14-9-10-14/h1-8,11,14H,9-10H2,(H,24,26).
What are the key properties of N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide?
N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide has a molecular weight of 356.35 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide is sourced from PubChem (CID 172890418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).