3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

C10H10F3NO2 — CID 60891416

IUPAC3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1cccc(O)c1
InChIInChI=1S/C10H10F3NO2/c1-14(6-10(11,12)13)9(16)7-3-2-4-8(15)5-7/h2-5,15H,6H2,1H3
InChIKeyALGWSIPBUIOXRZ-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.03
Rot. Bonds2

About 3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 60891416) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID60891416
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1cccc(O)c1
InChIInChI=1S/C10H10F3NO2/c1-14(6-10(11,12)13)9(16)7-3-2-4-8(15)5-7/h2-5,15H,6H2,1H3
InChIKeyALGWSIPBUIOXRZ-UHFFFAOYSA-N
XLogP2.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893102
N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492577
N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492196
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
CID 80665697
3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79600380
3,5-dibromo-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103908249
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62161986
4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80975840
4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 69057682

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 60891416) is 3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is CN(CC(F)(F)F)C(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ALGWSIPBUIOXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-14(6-10(11,12)13)9(16)7-3-2-4-8(15)5-7/h2-5,15H,6H2,1H3.
What are the key properties of 3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 233.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 60891416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).