3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide

C11H13F2NO3 — CID 114078926

IUPAC3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
SMILESCOCC(CO)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO3/c1-17-6-8(5-15)14-11(16)7-2-3-9(12)10(13)4-7/h2-4,8,15H,5-6H2,1H3,(H,14,16)
InChIKeyOKONYANGWUEOOE-UHFFFAOYSA-N
MW245.22 g/mol
LogP0.70
Rot. Bonds5

About 3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide

3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide (PubChem CID 114078926) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
PubChem CID114078926
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Name3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
SMILESCOCC(CO)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO3/c1-17-6-8(5-15)14-11(16)7-2-3-9(12)10(13)4-7/h2-4,8,15H,5-6H2,1H3,(H,14,16)
InChIKeyOKONYANGWUEOOE-UHFFFAOYSA-N
XLogP0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-1-methoxybutan-2-yl)-3,4-difluorobenzamide
CID 114151343
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate
CID 9277581
N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide
CID 114078956
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
N-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 114078983
4-bromo-N-(4-chloro-1-methoxybutan-2-yl)-3-fluorobenzamide
CID 106155489
N-(4-bromo-1-methoxybutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 106155995
N-(1-chlorobutan-2-yl)-3,4-difluorobenzamide
CID 114294264
(2S)-2-[(3,4-difluorobenzoyl)amino]propanoic acid
CID 42254634

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide (CID 114078926) is 3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide is COCC(CO)NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide?
The InChIKey is OKONYANGWUEOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-17-6-8(5-15)14-11(16)7-2-3-9(12)10(13)4-7/h2-4,8,15H,5-6H2,1H3,(H,14,16).
What are the key properties of 3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide?
3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide has a molecular weight of 245.22 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 114078926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).