N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide

C12H15F2NO2 — CID 113462790

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(F)(F)CO)c1
InChIInChI=1S/C12H15F2NO2/c1-8-3-9(2)5-10(4-8)11(17)15-6-12(13,14)7-16/h3-5,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyVQOYKXWQKQWYFA-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.66
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide

N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide (PubChem CID 113462790) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide
PubChem CID113462790
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(F)(F)CO)c1
InChIInChI=1S/C12H15F2NO2/c1-8-3-9(2)5-10(4-8)11(17)15-6-12(13,14)7-16/h3-5,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyVQOYKXWQKQWYFA-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-5-nitrobenzamide
CID 104857171
3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide
CID 114152440
4-bromo-N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethoxybenzamide
CID 104857145
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-4-nitrobenzamide
CID 104862723
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
N-(3-bromo-2,2-dimethylpropyl)-3,5-dimethylbenzamide
CID 115364940
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171951
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide
CID 104857865
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 104857762
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
CID 122141755
N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide
CID 113462787

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide (CID 113462790) is N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(F)(F)CO)c1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide?
The InChIKey is VQOYKXWQKQWYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-8-3-9(2)5-10(4-8)11(17)15-6-12(13,14)7-16/h3-5,16H,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide?
N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide has a molecular weight of 243.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 113462790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).