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

C24H23ClF3N3O — CID 163267336

IUPAC2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CNc2cc(C(F)(F)F)nc3ccccc23)CC1)c1ccccc1Cl
InChIInChI=1S/C24H23ClF3N3O/c25-19-7-3-1-5-17(19)23(32)30-16-11-9-15(10-12-16)14-29-21-13-22(24(26,27)28)31-20-8-4-2-6-18(20)21/h1-8,13,15-16H,9-12,14H2,(H,29,31)(H,30,32)
InChIKeyATYFFLNWLVOGTD-UHFFFAOYSA-N
MW461.92 g/mol
LogP6.31
Rot. Bonds5

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

2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide (PubChem CID 163267336) has the molecular formula C24H23ClF3N3O and a molecular weight of 461.92 g/mol. Its IUPAC name is 2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide
PubChem CID163267336
Molecular FormulaC24H23ClF3N3O
Molecular Weight461.92 g/mol
Exact Mass461.15
IUPAC Name2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CNc2cc(C(F)(F)F)nc3ccccc23)CC1)c1ccccc1Cl
InChIInChI=1S/C24H23ClF3N3O/c25-19-7-3-1-5-17(19)23(32)30-16-11-9-15(10-12-16)14-29-21-13-22(24(26,27)28)31-20-8-4-2-6-18(20)21/h1-8,13,15-16H,9-12,14H2,(H,29,31)(H,30,32)
InChIKeyATYFFLNWLVOGTD-UHFFFAOYSA-N
XLogP6.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.92
LogP ≤ 56.31
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
5-(trifluoromethyl)-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]thiophene-2-carboxamide
CID 167031403
6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide
CID 167031430
2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267188
cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267053
tert-butyl N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]carbamate
CID 163267387
N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
CID 59186865
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
N-[4-[[2-(2-fluoropropan-2-yl)quinolin-4-yl]amino]cyclohexyl]-1-benzofuran-3-carboxamide
CID 167099214
2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186810
2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267200

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide (CID 163267336) is 2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide is O=C(NC1CCC(CNc2cc(C(F)(F)F)nc3ccccc23)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide?
The InChIKey is ATYFFLNWLVOGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N3O/c25-19-7-3-1-5-17(19)23(32)30-16-11-9-15(10-12-16)14-29-21-13-22(24(26,27)28)31-20-8-4-2-6-18(20)21/h1-8,13,15-16H,9-12,14H2,(H,29,31)(H,30,32).
What are the key properties of 2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide?
2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide has a molecular weight of 461.92 g/mol, XLogP of 6.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide is sourced from PubChem (CID 163267336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).