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

C11H13F2NO2 — CID 93032270

IUPAC2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO2/c1-2-8(6-15)14-11(16)9-4-3-7(12)5-10(9)13/h3-5,8,15H,2,6H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyZEHIJDQNBLNIFE-MRVPVSSYSA-N
MW229.23 g/mol
LogP1.47
Rot. Bonds4

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

2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide (PubChem CID 93032270) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
PubChem CID93032270
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO2/c1-2-8(6-15)14-11(16)9-4-3-7(12)5-10(9)13/h3-5,8,15H,2,6H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyZEHIJDQNBLNIFE-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

4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 97340290
2-fluoro-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 103604548
2,4-difluoro-N-pent-1-yn-3-ylbenzamide
CID 103579084
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331
5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103919695
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
2,4-difluoro-N-hex-1-yn-3-ylbenzamide
CID 103528717
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide (CID 93032270) is 2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide is CC[C@H](CO)NC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is ZEHIJDQNBLNIFE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-2-8(6-15)14-11(16)9-4-3-7(12)5-10(9)13/h3-5,8,15H,2,6H2,1H3,(H,14,16)/t8-/m1/s1.
What are the key properties of 2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
2,4-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 2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 93032270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).