5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide

C12H13F4NO2 — CID 174217865

IUPAC5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide
SMILESCC(C)N(C(=O)c1cc(F)ccc1O)C(F)C(F)F
InChIInChI=1S/C12H13F4NO2/c1-6(2)17(11(16)10(14)15)12(19)8-5-7(13)3-4-9(8)18/h3-6,10-11,18H,1-2H3
InChIKeyIJDLPBFJFAGVAM-UHFFFAOYSA-N
MW279.23 g/mol
LogP2.94
Rot. Bonds4

About 5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide

5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide (PubChem CID 174217865) has the molecular formula C12H13F4NO2 and a molecular weight of 279.23 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide
PubChem CID174217865
Molecular FormulaC12H13F4NO2
Molecular Weight279.23 g/mol
Exact Mass279.09
IUPAC Name5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide
SMILESCC(C)N(C(=O)c1cc(F)ccc1O)C(F)C(F)F
InChIInChI=1S/C12H13F4NO2/c1-6(2)17(11(16)10(14)15)12(19)8-5-7(13)3-4-9(8)18/h3-6,10-11,18H,1-2H3
InChIKeyIJDLPBFJFAGVAM-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-1-sulfanylidenepropan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 113281571
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 113281484
tert-butyl (2R)-2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
CID 124608391
N-cyclopropyl-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115298911
5-fluoro-2-hydroxy-N-methyl-N-(4-methylphenyl)benzamide
CID 115299057
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
5-fluoro-2-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106936071
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-5-fluoro-2-hydroxybenzamide
CID 113281569
acetyl 5-fluoro-2-hydroxybenzoate
CID 174322900
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide (CID 174217865) is 5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide is CC(C)N(C(=O)c1cc(F)ccc1O)C(F)C(F)F.
What is the InChIKey of 5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide?
The InChIKey is IJDLPBFJFAGVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO2/c1-6(2)17(11(16)10(14)15)12(19)8-5-7(13)3-4-9(8)18/h3-6,10-11,18H,1-2H3.
What are the key properties of 5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide?
5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide has a molecular weight of 279.23 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-propan-2-yl-N-(1,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 174217865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).