N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide

C11H13F2NO2 — CID 115611587

IUPACN-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide
SMILESCc1ccc(O)c(C(=O)N(C)CC(F)F)c1
InChIInChI=1S/C11H13F2NO2/c1-7-3-4-9(15)8(5-7)11(16)14(2)6-10(12)13/h3-5,10,15H,6H2,1-2H3
InChIKeyDZINJOIUANODHU-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.04
Rot. Bonds3

About N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide

N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide (PubChem CID 115611587) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide
PubChem CID115611587
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC NameN-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide
SMILESCc1ccc(O)c(C(=O)N(C)CC(F)F)c1
InChIInChI=1S/C11H13F2NO2/c1-7-3-4-9(15)8(5-7)11(16)14(2)6-10(12)13/h3-5,10,15H,6H2,1-2H3
InChIKeyDZINJOIUANODHU-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxy-5-methylbenzamide
CID 107491889
2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide
CID 60652527
N-(2-bromo-3-methoxypropyl)-2-hydroxy-N,5-dimethylbenzamide
CID 80670555
2-hydroxy-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968436
4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide
CID 115611590
2-hydroxy-N,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 47140666
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 38341813
N-(2-amino-2-hydroxyiminoethyl)-2-hydroxy-N,5-dimethylbenzamide
CID 76928817
N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 42987430
2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 107722894
5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120626074
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide (CID 115611587) is N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide is Cc1ccc(O)c(C(=O)N(C)CC(F)F)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide?
The InChIKey is DZINJOIUANODHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-7-3-4-9(15)8(5-7)11(16)14(2)6-10(12)13/h3-5,10,15H,6H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide?
N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide has a molecular weight of 229.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide is sourced from PubChem (CID 115611587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).