N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide

C11H11F4NO3 — CID 103770487

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
SMILESO=C(NCC(O)C(F)F)c1ccccc1OC(F)F
InChIInChI=1S/C11H11F4NO3/c12-9(13)7(17)5-16-10(18)6-3-1-2-4-8(6)19-11(14)15/h1-4,7,9,11,17H,5H2,(H,16,18)
InChIKeyKRVBZXNJGZFFPU-UHFFFAOYSA-N
MW281.20 g/mol
LogP1.64
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide

N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide (PubChem CID 103770487) has the molecular formula C11H11F4NO3 and a molecular weight of 281.20 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
PubChem CID103770487
Molecular FormulaC11H11F4NO3
Molecular Weight281.20 g/mol
Exact Mass281.07
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
SMILESO=C(NCC(O)C(F)F)c1ccccc1OC(F)F
InChIInChI=1S/C11H11F4NO3/c12-9(13)7(17)5-16-10(18)6-3-1-2-4-8(6)19-11(14)15/h1-4,7,9,11,17H,5H2,(H,16,18)
InChIKeyKRVBZXNJGZFFPU-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide
CID 113492971
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770297
3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid
CID 106107907
2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid
CID 65220322
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide
CID 107158740
N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide
CID 66091129
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide
CID 103820546
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide (CID 103770487) is N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide is O=C(NCC(O)C(F)F)c1ccccc1OC(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide?
The InChIKey is KRVBZXNJGZFFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO3/c12-9(13)7(17)5-16-10(18)6-3-1-2-4-8(6)19-11(14)15/h1-4,7,9,11,17H,5H2,(H,16,18).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide has a molecular weight of 281.20 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 103770487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).