3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide

C23H17F6N3O — CID 177049778

IUPAC3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide
SMILESO=C(NC1CCCc2nc(-c3ccnc(C(F)(F)F)c3)ccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F6N3O/c24-22(25,26)15-4-1-3-14(11-15)21(33)32-19-6-2-5-18-16(19)7-8-17(31-18)13-9-10-30-20(12-13)23(27,28)29/h1,3-4,7-12,19H,2,5-6H2,(H,32,33)
InChIKeyZRMWNNMRXFYAPP-UHFFFAOYSA-N
MW465.40 g/mol
LogP5.99
Rot. Bonds3

About 3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide

3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide (PubChem CID 177049778) has the molecular formula C23H17F6N3O and a molecular weight of 465.40 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide
PubChem CID177049778
Molecular FormulaC23H17F6N3O
Molecular Weight465.40 g/mol
Exact Mass465.13
IUPAC Name3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide
SMILESO=C(NC1CCCc2nc(-c3ccnc(C(F)(F)F)c3)ccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F6N3O/c24-22(25,26)15-4-1-3-14(11-15)21(33)32-19-6-2-5-18-16(19)7-8-17(31-18)13-9-10-30-20(12-13)23(27,28)29/h1,3-4,7-12,19H,2,5-6H2,(H,32,33)
InChIKeyZRMWNNMRXFYAPP-UHFFFAOYSA-N
XLogP5.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.40
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177051267
N-[(7S)-2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl]-3-(trifluoromethyl)benzamide
CID 177051161
N-[2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl]-3-(trifluoromethyl)benzamide
CID 177051662
2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide
CID 177051378
N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-4-yl]-3-(trifluoromethyl)benzamide
CID 177050002
N-[(4R)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl]-3-(trifluoromethyl)benzamide
CID 177296237
2-[2-(trifluoromethyl)-4-pyridinyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;hydrochloride
CID 177050774
N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 100746456
3-chloro-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-4-yl]benzamide
CID 177050464
5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide
CID 46205683
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide
CID 7536993
4-methyl-2-(trifluoromethyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]-1,3-oxazole-5-carboxamide
CID 177051394

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide?
The IUPAC name of 3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide (CID 177049778) is 3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide.
What is the SMILES notation for 3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide?
The canonical SMILES for 3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide is O=C(NC1CCCc2nc(-c3ccnc(C(F)(F)F)c3)ccc21)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide?
The InChIKey is ZRMWNNMRXFYAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N3O/c24-22(25,26)15-4-1-3-14(11-15)21(33)32-19-6-2-5-18-16(19)7-8-17(31-18)13-9-10-30-20(12-13)23(27,28)29/h1,3-4,7-12,19H,2,5-6H2,(H,32,33).
What are the key properties of 3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide?
3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide has a molecular weight of 465.40 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide is sourced from PubChem (CID 177049778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).