4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

C11H12ClF2NO2 — CID 82771628

IUPAC4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C11H12ClF2NO2/c1-11(2,5-16)15-10(17)6-3-9(14)7(12)4-8(6)13/h3-4,16H,5H2,1-2H3,(H,15,17)
InChIKeyJLEMXOBGBVAROX-UHFFFAOYSA-N
MW263.67 g/mol
LogP2.12
Rot. Bonds3

About 4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 82771628) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is 4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID82771628
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Name4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C11H12ClF2NO2/c1-11(2,5-16)15-10(17)6-3-9(14)7(12)4-8(6)13/h3-4,16H,5H2,1-2H3,(H,15,17)
InChIKeyJLEMXOBGBVAROX-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2,5-difluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 82773237
2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870194
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119521536
4-chloro-N-[3-(chloromethyl)pentan-3-yl]-2,5-difluorobenzamide
CID 82771535
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-2,5-difluorobenzamide
CID 82773293
3-[(2-chloro-4,5-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 64672306
2-chloro-4,5-difluoro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64556023
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498518
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
CID 82772458
4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 82771628) is 4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is JLEMXOBGBVAROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2/c1-11(2,5-16)15-10(17)6-3-9(14)7(12)4-8(6)13/h3-4,16H,5H2,1-2H3,(H,15,17).
What are the key properties of 4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 263.67 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 82771628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).