2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide

C25H26F3N3O — CID 163267188

IUPAC2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
SMILESCCc1ccccc1C(=O)NC1CCC(Nc2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C25H26F3N3O/c1-2-16-7-3-4-8-19(16)24(32)30-18-13-11-17(12-14-18)29-22-15-23(25(26,27)28)31-21-10-6-5-9-20(21)22/h3-10,15,17-18H,2,11-14H2,1H3,(H,29,31)(H,30,32)
InChIKeyPUJKRAFNRMDMNO-UHFFFAOYSA-N
MW441.50 g/mol
LogP5.97
Rot. Bonds5

About 2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide

2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide (PubChem CID 163267188) has the molecular formula C25H26F3N3O and a molecular weight of 441.50 g/mol. Its IUPAC name is 2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
PubChem CID163267188
Molecular FormulaC25H26F3N3O
Molecular Weight441.50 g/mol
Exact Mass441.20
IUPAC Name2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
SMILESCCc1ccccc1C(=O)NC1CCC(Nc2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C25H26F3N3O/c1-2-16-7-3-4-8-19(16)24(32)30-18-13-11-17(12-14-18)29-22-15-23(25(26,27)28)31-21-10-6-5-9-20(21)22/h3-10,15,17-18H,2,11-14H2,1H3,(H,29,31)(H,30,32)
InChIKeyPUJKRAFNRMDMNO-UHFFFAOYSA-N
XLogP5.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.50
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267255
2-phenyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]butanamide
CID 163266929
2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267200
tert-butyl N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]carbamate
CID 163267387
cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267053
2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide
CID 163267336
4-cyano-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163266996
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-(methylamino)benzamide
CID 163266948
2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 163267072
2-(dimethylamino)-N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163229648
N-[4-[[2-(2-fluoropropan-2-yl)quinolin-4-yl]amino]cyclohexyl]-1-benzofuran-3-carboxamide
CID 167099214
5-(trifluoromethyl)-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]thiophene-2-carboxamide
CID 167031403

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?
The IUPAC name of 2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide (CID 163267188) is 2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for 2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide is CCc1ccccc1C(=O)NC1CCC(Nc2cc(C(F)(F)F)nc3ccccc23)CC1.
What is the InChIKey of 2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?
The InChIKey is PUJKRAFNRMDMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O/c1-2-16-7-3-4-8-19(16)24(32)30-18-13-11-17(12-14-18)29-22-15-23(25(26,27)28)31-21-10-6-5-9-20(21)22/h3-10,15,17-18H,2,11-14H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?
2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide has a molecular weight of 441.50 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 163267188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).