2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide

C24H23F4N3O — CID 163267200

IUPAC2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
SMILESCc1cccc(F)c1C(=O)NC1CCC(Nc2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C24H23F4N3O/c1-14-5-4-7-18(25)22(14)23(32)30-16-11-9-15(10-12-16)29-20-13-21(24(26,27)28)31-19-8-3-2-6-17(19)20/h2-8,13,15-16H,9-12H2,1H3,(H,29,31)(H,30,32)
InChIKeyIJQLRDHWZABTMM-UHFFFAOYSA-N
MW445.46 g/mol
LogP5.85
Rot. Bonds4

About 2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide

2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide (PubChem CID 163267200) has the molecular formula C24H23F4N3O and a molecular weight of 445.46 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
PubChem CID163267200
Molecular FormulaC24H23F4N3O
Molecular Weight445.46 g/mol
Exact Mass445.18
IUPAC Name2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
SMILESCc1cccc(F)c1C(=O)NC1CCC(Nc2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C24H23F4N3O/c1-14-5-4-7-18(25)22(14)23(32)30-16-11-9-15(10-12-16)29-20-13-21(24(26,27)28)31-19-8-3-2-6-17(19)20/h2-8,13,15-16H,9-12H2,1H3,(H,29,31)(H,30,32)
InChIKeyIJQLRDHWZABTMM-UHFFFAOYSA-N
XLogP5.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.46
LogP ≤ 55.85
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-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267188
tert-butyl N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]carbamate
CID 163267387
4-cyano-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163266996
2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 163267072
cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267053
2-phenyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]butanamide
CID 163266929
2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide
CID 163266943
6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide
CID 167031430
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-(methylamino)benzamide
CID 163266948
CID 163266902
CID 163266902
N-[4-[[2-(2-fluoropropan-2-yl)quinolin-4-yl]amino]cyclohexyl]-1-benzofuran-3-carboxamide
CID 167099214

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?
The IUPAC name of 2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide (CID 163267200) is 2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for 2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide is Cc1cccc(F)c1C(=O)NC1CCC(Nc2cc(C(F)(F)F)nc3ccccc23)CC1.
What is the InChIKey of 2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?
The InChIKey is IJQLRDHWZABTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N3O/c1-14-5-4-7-18(25)22(14)23(32)30-16-11-9-15(10-12-16)29-20-13-21(24(26,27)28)31-19-8-3-2-6-17(19)20/h2-8,13,15-16H,9-12H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?
2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide has a molecular weight of 445.46 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 163267200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).