3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide

C11H13F2NO4 — CID 66175780

IUPAC3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
SMILESO=C(NCC(O)CO)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H13F2NO4/c12-11(13)18-9-3-1-2-7(4-9)10(17)14-5-8(16)6-15/h1-4,8,11,15-16H,5-6H2,(H,14,17)
InChIKeyQDURONVWEPQQCD-UHFFFAOYSA-N
MW261.22 g/mol
LogP0.37
Rot. Bonds6

About 3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide

3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide (PubChem CID 66175780) has the molecular formula C11H13F2NO4 and a molecular weight of 261.22 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
PubChem CID66175780
Molecular FormulaC11H13F2NO4
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC Name3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
SMILESO=C(NCC(O)CO)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H13F2NO4/c12-11(13)18-9-3-1-2-7(4-9)10(17)14-5-8(16)6-15/h1-4,8,11,15-16H,5-6H2,(H,14,17)
InChIKeyQDURONVWEPQQCD-UHFFFAOYSA-N
XLogP0.37
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide
CID 118929130
3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652569
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
N-(4-bromo-2-methylbutyl)-3-(difluoromethoxy)benzamide
CID 114316820
N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide
CID 106288562
4-[[3-(difluoromethoxy)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832660
N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide
CID 172511882
N-(5-chloropentyl)-3-(difluoromethoxy)benzamide
CID 107321329
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide
CID 18167097

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide (CID 66175780) is 3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide is O=C(NCC(O)CO)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide?
The InChIKey is QDURONVWEPQQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4/c12-11(13)18-9-3-1-2-7(4-9)10(17)14-5-8(16)6-15/h1-4,8,11,15-16H,5-6H2,(H,14,17).
What are the key properties of 3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide?
3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide has a molecular weight of 261.22 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide is sourced from PubChem (CID 66175780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).