N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide

C12H15F2NO2 — CID 103820546

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)NCC(O)C(F)F
InChIInChI=1S/C12H15F2NO2/c1-2-8-5-3-4-6-9(8)12(17)15-7-10(16)11(13)14/h3-6,10-11,16H,2,7H2,1H3,(H,15,17)
InChIKeyDOQKIBHCHCMUTD-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.60
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide

N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide (PubChem CID 103820546) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide
PubChem CID103820546
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)NCC(O)C(F)F
InChIInChI=1S/C12H15F2NO2/c1-2-8-5-3-4-6-9(8)12(17)15-7-10(16)11(13)14/h3-6,10-11,16H,2,7H2,1H3,(H,15,17)
InChIKeyDOQKIBHCHCMUTD-UHFFFAOYSA-N
XLogP1.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770297
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487
N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide
CID 113258914
2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103770405
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide
CID 103770198
2-ethyl-N-(2-oxopropyl)benzamide
CID 22084530
2-ethyl-N-(4-hydroxypentyl)benzamide
CID 107300304
N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103894223
2-bromo-N-[2-[(3,3-difluoro-2-hydroxypropyl)amino]-2-oxoethyl]benzamide
CID 104889713
N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
CID 106117548
N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770299
2-ethyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
CID 86802081

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide (CID 103820546) is N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide is CCc1ccccc1C(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide?
The InChIKey is DOQKIBHCHCMUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-2-8-5-3-4-6-9(8)12(17)15-7-10(16)11(13)14/h3-6,10-11,16H,2,7H2,1H3,(H,15,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide has a molecular weight of 243.25 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide is sourced from PubChem (CID 103820546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).