N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide

C21H21F6NO2 — CID 87679807

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide
SMILESCC(C)(C)CCc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H21F6NO2/c1-19(2,3)7-6-12-4-5-17(29)16(8-12)18(30)28-15-10-13(20(22,23)24)9-14(11-15)21(25,26)27/h4-5,8-11,29H,6-7H2,1-3H3,(H,28,30)
InChIKeyNEJKBKXLAXMNKA-UHFFFAOYSA-N
MW433.39 g/mol
LogP6.66
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide (PubChem CID 87679807) 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-(3,3-dimethylbutyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide
PubChem CID87679807
Molecular FormulaC21H21F6NO2
Molecular Weight433.39 g/mol
Exact Mass433.15
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide
SMILESCC(C)(C)CCc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H21F6NO2/c1-19(2,3)7-6-12-4-5-17(29)16(8-12)18(30)28-15-10-13(20(22,23)24)9-14(11-15)21(25,26)27/h4-5,8-11,29H,6-7H2,1-3H3,(H,28,30)
InChIKeyNEJKBKXLAXMNKA-UHFFFAOYSA-N
XLogP6.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 71554885
ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 163370448
[3,5-bis(trifluoromethyl)phenyl] 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-hydroxybenzoate
CID 11192744
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238
N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 59263648
N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide
CID 87679808
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 10095074
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide
CID 10050743
5-chloro-2-hydroxy-N-[3-phenyl-5-(trifluoromethyl)phenyl]benzamide
CID 166523034
5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 121356240
2-hydroxy-5-pentyl-N-phenylbenzamide
CID 69463997

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide (CID 87679807) is N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide is CC(C)(C)CCc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide?
The InChIKey is NEJKBKXLAXMNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F6NO2/c1-19(2,3)7-6-12-4-5-17(29)16(8-12)18(30)28-15-10-13(20(22,23)24)9-14(11-15)21(25,26)27/h4-5,8-11,29H,6-7H2,1-3H3,(H,28,30).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide has a molecular weight of 433.39 g/mol, XLogP of 6.66, 4 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-(3,3-dimethylbutyl)-2-hydroxybenzamide is sourced from PubChem (CID 87679807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).