4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

C12H14F3NO2 — CID 55009058

IUPAC4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H14F3NO2/c1-8(2)16(7-12(13,14)15)11(18)9-3-5-10(17)6-4-9/h3-6,8,17H,7H2,1-2H3
InChIKeyPQNGKVVXOCDADY-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.81
Rot. Bonds3

About 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55009058) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55009058
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H14F3NO2/c1-8(2)16(7-12(13,14)15)11(18)9-3-5-10(17)6-4-9/h3-6,8,17H,7H2,1-2H3
InChIKeyPQNGKVVXOCDADY-UHFFFAOYSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)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-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 71852525
4-bromo-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 112706112
3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60947328
3-hydroxy-4-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 102741649
3-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60948271
4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid
CID 54926331
N-(2-cyanoethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 54997018
3-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55009007
3-(2-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62593152
2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 62179572
N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 60715950
2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-benzothiazole-6-carboxamide
CID 65349632

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (CID 55009058) is 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is CC(C)N(CC(F)(F)F)C(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is PQNGKVVXOCDADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8(2)16(7-12(13,14)15)11(18)9-3-5-10(17)6-4-9/h3-6,8,17H,7H2,1-2H3.
What are the key properties of 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 261.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55009058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).