2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide

C12H14F3NO3 — CID 109468392

IUPAC2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1ccc(F)cc1OC(F)F
InChIInChI=1S/C12H14F3NO3/c1-2-16(5-6-17)11(18)9-4-3-8(13)7-10(9)19-12(14)15/h3-4,7,12,17H,2,5-6H2,1H3
InChIKeyZKVKQJSCMIOTNB-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.88
Rot. Bonds6

About 2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide

2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 109468392) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide
PubChem CID109468392
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1ccc(F)cc1OC(F)F
InChIInChI=1S/C12H14F3NO3/c1-2-16(5-6-17)11(18)9-4-3-8(13)7-10(9)19-12(14)15/h3-4,7,12,17H,2,5-6H2,1H3
InChIKeyZKVKQJSCMIOTNB-UHFFFAOYSA-N
XLogP1.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113468555
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
CID 113339465
N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride
CID 119653488
N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide
CID 78860252
4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide
CID 103857248
N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
CID 80661130
3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide
CID 107120608
3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 75451514
2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide
CID 121440222

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide (CID 109468392) is 2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide is CCN(CCO)C(=O)c1ccc(F)cc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is ZKVKQJSCMIOTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-2-16(5-6-17)11(18)9-4-3-8(13)7-10(9)19-12(14)15/h3-4,7,12,17H,2,5-6H2,1H3.
What are the key properties of 2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide?
2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 277.24 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 109468392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).