N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide

C12H14F3NO3 — CID 126815917

IUPACN-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide
SMILESCCC(C)NC(=O)c1cccc(O)c1OC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-3-7(2)16-11(18)8-5-4-6-9(17)10(8)19-12(13,14)15/h4-7,17H,3H2,1-2H3,(H,16,18)
InChIKeyZDSYKGXSUIBTSH-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.82
Rot. Bonds4

About N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide

N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide (PubChem CID 126815917) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide
PubChem CID126815917
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC NameN-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide
SMILESCCC(C)NC(=O)c1cccc(O)c1OC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-3-7(2)16-11(18)8-5-4-6-9(17)10(8)19-12(13,14)15/h4-7,17H,3H2,1-2H3,(H,16,18)
InChIKeyZDSYKGXSUIBTSH-UHFFFAOYSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide 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

N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide
CID 95903703
N-butan-2-yl-2-propoxybenzamide
CID 71581291
4-bromo-N-butan-2-yl-2-hydroxybenzamide
CID 47435868
2-(butan-2-ylcarbamoyl)-6-ethylsulfonyloxybenzoic acid
CID 87517864
N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 82828956
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 82829211
N-butan-2-yl-2-(cyanomethylsulfanyl)benzamide
CID 47004681

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide (CID 126815917) is N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide is CCC(C)NC(=O)c1cccc(O)c1OC(F)(F)F.
What is the InChIKey of N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide?
The InChIKey is ZDSYKGXSUIBTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-3-7(2)16-11(18)8-5-4-6-9(17)10(8)19-12(13,14)15/h4-7,17H,3H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide?
N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide has a molecular weight of 277.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 126815917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).