4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide

C22H20F4N2OS — CID 166008956

IUPAC4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide
SMILESO=C(NC1CCC(Nc2cccc3cc(C(F)(F)F)sc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H20F4N2OS/c23-15-6-4-13(5-7-15)21(29)28-17-10-8-16(9-11-17)27-18-3-1-2-14-12-19(22(24,25)26)30-20(14)18/h1-7,12,16-17,27H,8-11H2,(H,28,29)
InChIKeyWBRMFKQYTJEVQW-UHFFFAOYSA-N
MW436.47 g/mol
LogP6.21
Rot. Bonds4

About 4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide

4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide (PubChem CID 166008956) has the molecular formula C22H20F4N2OS and a molecular weight of 436.47 g/mol. Its IUPAC name is 4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide
PubChem CID166008956
Molecular FormulaC22H20F4N2OS
Molecular Weight436.47 g/mol
Exact Mass436.12
IUPAC Name4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide
SMILESO=C(NC1CCC(Nc2cccc3cc(C(F)(F)F)sc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H20F4N2OS/c23-15-6-4-13(5-7-15)21(29)28-17-10-8-16(9-11-17)27-18-3-1-2-14-12-19(22(24,25)26)30-20(14)18/h1-7,12,16-17,27H,8-11H2,(H,28,29)
InChIKeyWBRMFKQYTJEVQW-UHFFFAOYSA-N
XLogP6.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide with MolForge

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Related Compounds

N-[4-[(2-acetyl-1,3-benzothiazol-4-yl)amino]cyclohexyl]-4-fluorobenzamide
CID 168782775
4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
CID 163267198
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-4-chlorobenzamide;sulfane
CID 167653712
N-[4-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-4-fluorobenzamide;cyclopropylboronic acid;N-[4-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-4-fluorobenzamide
CID 167586237
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
N-[4-[[1-(3-chlorophenyl)-6-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]cyclohexyl]-4-fluorobenzamide
CID 42674099
N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
CID 22588027
4-fluoro-N-(1-oxothian-4-yl)benzamide
CID 115886679
4-cyano-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163266996
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide (CID 166008956) is 4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide is O=C(NC1CCC(Nc2cccc3cc(C(F)(F)F)sc23)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide?
The InChIKey is WBRMFKQYTJEVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N2OS/c23-15-6-4-13(5-7-15)21(29)28-17-10-8-16(9-11-17)27-18-3-1-2-14-12-19(22(24,25)26)30-20(14)18/h1-7,12,16-17,27H,8-11H2,(H,28,29).
What are the key properties of 4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide?
4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide has a molecular weight of 436.47 g/mol, XLogP of 6.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 166008956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).