N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide

C21H21F6NO2 — CID 87679808

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide
SMILESCCc1cc(C(C)(C)C)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O
InChIInChI=1S/C21H21F6NO2/c1-5-11-6-12(19(2,3)4)10-16(17(11)29)18(30)28-15-8-13(20(22,23)24)7-14(9-15)21(25,26)27/h6-10,29H,5H2,1-4H3,(H,28,30)
InChIKeyPRMHIVLKYIGLCD-UHFFFAOYSA-N
MW433.39 g/mol
LogP6.54
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide (PubChem CID 87679808) has the molecular formula C21H21F6NO2 and a molecular weight of 433.39 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide
PubChem CID87679808
Molecular FormulaC21H21F6NO2
Molecular Weight433.39 g/mol
Exact Mass433.15
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide
SMILESCCc1cc(C(C)(C)C)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O
InChIInChI=1S/C21H21F6NO2/c1-5-11-6-12(19(2,3)4)10-16(17(11)29)18(30)28-15-8-13(20(22,23)24)7-14(9-15)21(25,26)27/h6-10,29H,5H2,1-4H3,(H,28,30)
InChIKeyPRMHIVLKYIGLCD-UHFFFAOYSA-N
XLogP6.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide
CID 87748784
5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 71554885
N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide
CID 87679807
1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 131276925
2-hydroxy-N-phenyl-3,5-bis(trifluoromethyl)benzamide
CID 154394925
N-[3,5-bis(trifluoromethyl)phenyl]-2-methylbutanamide
CID 58825547
N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-2-dibenzylphosphoryloxybenzamide
CID 141224231
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide
CID 120605053
3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dipropylurea
CID 127585442
1-[3,5-bis(trifluoromethyl)phenyl]-3-pentan-3-ylurea
CID 108888360
methyl 3-ethyl-2-fluoro-5-(trifluoromethyl)benzoate
CID 59382635

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide (CID 87679808) is N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide is CCc1cc(C(C)(C)C)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide?
The InChIKey is PRMHIVLKYIGLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F6NO2/c1-5-11-6-12(19(2,3)4)10-16(17(11)29)18(30)28-15-8-13(20(22,23)24)7-14(9-15)21(25,26)27/h6-10,29H,5H2,1-4H3,(H,28,30).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide has a molecular weight of 433.39 g/mol, XLogP of 6.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide is sourced from PubChem (CID 87679808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).