3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide

C11H13F2NO2 — CID 103920331

IUPAC3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2/c1-2-8(6-15)14-11(16)7-3-4-9(12)10(13)5-7/h3-5,8,15H,2,6H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyZMTKLHDIBHVXNL-MRVPVSSYSA-N
MW229.23 g/mol
LogP1.47
Rot. Bonds4

About 3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide

3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide (PubChem CID 103920331) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
PubChem CID103920331
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2/c1-2-8(6-15)14-11(16)7-3-4-9(12)10(13)5-7/h3-5,8,15H,2,6H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyZMTKLHDIBHVXNL-MRVPVSSYSA-N
XLogP1.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-chlorobutan-2-yl)-3,4-difluorobenzamide
CID 114294264
3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
CID 114078926
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-4-nitrobenzamide
CID 103919912
4-[(3,4-difluorophenyl)methylamino]-N-(1-hydroxybutan-2-yl)benzamide
CID 111434565
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169
N-(1-amino-1-hydroxyiminopentan-3-yl)-3,4-difluorobenzamide
CID 76947874
(2S)-2-[(3,4-difluorobenzoyl)amino]butanoic acid
CID 42255214
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 93081057
4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 103958340
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 786712
3-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 786711
methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate
CID 9277581

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide (CID 103920331) is 3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide is CC[C@H](CO)NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is ZMTKLHDIBHVXNL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-2-8(6-15)14-11(16)7-3-4-9(12)10(13)5-7/h3-5,8,15H,2,6H2,1H3,(H,14,16)/t8-/m1/s1.
What are the key properties of 3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide has a molecular weight of 229.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 103920331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).