3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide

C24H23ClF3N3O — CID 167099137

IUPAC3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
SMILESCN(c1cc(C(F)(F)F)nc2ccccc12)C1CCC(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H23ClF3N3O/c1-31(21-14-22(24(26,27)28)30-20-8-3-2-7-19(20)21)18-11-9-17(10-12-18)29-23(32)15-5-4-6-16(25)13-15/h2-8,13-14,17-18H,9-12H2,1H3,(H,29,32)
InChIKeyYVLSKULFYLFUHY-UHFFFAOYSA-N
MW461.92 g/mol
LogP6.08
Rot. Bonds4

About 3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide

3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide (PubChem CID 167099137) has the molecular formula C24H23ClF3N3O and a molecular weight of 461.92 g/mol. Its IUPAC name is 3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
PubChem CID167099137
Molecular FormulaC24H23ClF3N3O
Molecular Weight461.92 g/mol
Exact Mass461.15
IUPAC Name3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
SMILESCN(c1cc(C(F)(F)F)nc2ccccc12)C1CCC(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H23ClF3N3O/c1-31(21-14-22(24(26,27)28)30-20-8-3-2-7-19(20)21)18-11-9-17(10-12-18)29-23(32)15-5-4-6-16(25)13-15/h2-8,13-14,17-18H,9-12H2,1H3,(H,29,32)
InChIKeyYVLSKULFYLFUHY-UHFFFAOYSA-N
XLogP6.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.92
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 167099514
2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide
CID 167099516
N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide
CID 167099267
3,5-dimethyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1,2-oxazole-4-carboxamide
CID 167099511
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-1H-indazole-7-carboxamide
CID 167099423
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 167099460
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide
CID 167099450
benzyl N-[4-[[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]amino]-4-oxobutyl]carbamate
CID 167099287
3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide
CID 167099288
2-(4-chloro-1H-indol-3-yl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]acetamide
CID 167099232
N-[(1R,3S)-3-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-(dimethylamino)benzamide
CID 163229236
N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide
CID 172890418

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide (CID 167099137) is 3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide is CN(c1cc(C(F)(F)F)nc2ccccc12)C1CCC(NC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?
The InChIKey is YVLSKULFYLFUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N3O/c1-31(21-14-22(24(26,27)28)30-20-8-3-2-7-19(20)21)18-11-9-17(10-12-18)29-23(32)15-5-4-6-16(25)13-15/h2-8,13-14,17-18H,9-12H2,1H3,(H,29,32).
What are the key properties of 3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?
3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide has a molecular weight of 461.92 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 167099137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).