4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide

C22H20F4N4O — CID 163267198

IUPAC4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
SMILESO=C(NC1CCC(Nc2nc(C(F)(F)F)nc3ccccc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H20F4N4O/c23-14-7-5-13(6-8-14)20(31)28-16-11-9-15(10-12-16)27-19-17-3-1-2-4-18(17)29-21(30-19)22(24,25)26/h1-8,15-16H,9-12H2,(H,28,31)(H,27,29,30)
InChIKeyPYSNSOPWBLELBK-UHFFFAOYSA-N
MW432.42 g/mol
LogP4.94
Rot. Bonds4

About 4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide

4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide (PubChem CID 163267198) has the molecular formula C22H20F4N4O and a molecular weight of 432.42 g/mol. Its IUPAC name is 4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
PubChem CID163267198
Molecular FormulaC22H20F4N4O
Molecular Weight432.42 g/mol
Exact Mass432.16
IUPAC Name4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
SMILESO=C(NC1CCC(Nc2nc(C(F)(F)F)nc3ccccc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H20F4N4O/c23-14-7-5-13(6-8-14)20(31)28-16-11-9-15(10-12-16)27-19-17-3-1-2-4-18(17)29-21(30-19)22(24,25)26/h1-8,15-16H,9-12H2,(H,28,31)(H,27,29,30)
InChIKeyPYSNSOPWBLELBK-UHFFFAOYSA-N
XLogP4.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
CID 163267105
4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide
CID 138042938
N-cyclopropyl-4-[2-(trifluoromethyl)quinolin-4-yl]benzamide
CID 172890418
4-methyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid
CID 735192
4-cyano-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163266996
3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine
CID 138042973
2-fluoro-N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 162599111
N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide
CID 42809176
4-fluoro-N-[4-[[2-(trifluoromethyl)-1-benzothiophen-7-yl]amino]cyclohexyl]benzamide
CID 166008956
2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267200
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
CID 22588027

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide (CID 163267198) is 4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide is O=C(NC1CCC(Nc2nc(C(F)(F)F)nc3ccccc23)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide?
The InChIKey is PYSNSOPWBLELBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O/c23-14-7-5-13(6-8-14)20(31)28-16-11-9-15(10-12-16)27-19-17-3-1-2-4-18(17)29-21(30-19)22(24,25)26/h1-8,15-16H,9-12H2,(H,28,31)(H,27,29,30).
What are the key properties of 4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide?
4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide has a molecular weight of 432.42 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 163267198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).