N-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide

C20H20F3NO2 — CID 44534359

IUPACN-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NC1CCCCC1)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)15-6-4-5-13(11-15)17-12-14(9-10-18(17)25)19(26)24-16-7-2-1-3-8-16/h4-6,9-12,16,25H,1-3,7-8H2,(H,24,26)
InChIKeySMRXRLNDEAEQLU-UHFFFAOYSA-N
MW363.38 g/mol
LogP5.14
Rot. Bonds3

About N-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide

N-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 44534359) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID44534359
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC NameN-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NC1CCCCC1)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)15-6-4-5-13(11-15)17-12-14(9-10-18(17)25)19(26)24-16-7-2-1-3-8-16/h4-6,9-12,16,25H,1-3,7-8H2,(H,24,26)
InChIKeySMRXRLNDEAEQLU-UHFFFAOYSA-N
XLogP5.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.38
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 8579
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CID 878337
CID 878337
CID 2084273
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CID 2900449
CID 2900449
CID 889929
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CID 10024067
CID 10024067
CID 10046989
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CID 23544094
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CID 23544106
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide (CID 44534359) is N-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide is O=C(NC1CCCCC1)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SMRXRLNDEAEQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c21-20(22,23)15-6-4-5-13(11-15)17-12-14(9-10-18(17)25)19(26)24-16-7-2-1-3-8-16/h4-6,9-12,16,25H,1-3,7-8H2,(H,24,26).
What are the key properties of N-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide?
N-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 363.38 g/mol, XLogP of 5.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-hydroxy-3-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 44534359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).