[3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite

C11H12ClF2NO3 — CID 142805040

IUPAC[3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite
SMILESCC(C)(CO)NC(=O)c1c(F)cc(OCl)cc1F
InChIInChI=1S/C11H12ClF2NO3/c1-11(2,5-16)15-10(17)9-7(13)3-6(18-12)4-8(9)14/h3-4,16H,5H2,1-2H3,(H,15,17)
InChIKeyLERMHWGOILRTEW-UHFFFAOYSA-N
MW279.67 g/mol
LogP2.00
Rot. Bonds4

About [3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite

[3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite (PubChem CID 142805040) has the molecular formula C11H12ClF2NO3 and a molecular weight of 279.67 g/mol. Its IUPAC name is [3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite.

Molecular Properties

Compound Name[3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite
PubChem CID142805040
Molecular FormulaC11H12ClF2NO3
Molecular Weight279.67 g/mol
Exact Mass279.05
IUPAC Name[3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite
SMILESCC(C)(CO)NC(=O)c1c(F)cc(OCl)cc1F
InChIInChI=1S/C11H12ClF2NO3/c1-11(2,5-16)15-10(17)9-7(13)3-6(18-12)4-8(9)14/h3-4,16H,5H2,1-2H3,(H,15,17)
InChIKeyLERMHWGOILRTEW-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 114559568
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide
CID 107845997
2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 107866560
4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 82771628
3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390562
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide
CID 114308125
4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 62679848
3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944773
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide
CID 110001013

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite?
The IUPAC name of [3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite (CID 142805040) is [3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite.
What is the SMILES notation for [3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite?
The canonical SMILES for [3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite is CC(C)(CO)NC(=O)c1c(F)cc(OCl)cc1F.
What is the InChIKey of [3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite?
The InChIKey is LERMHWGOILRTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO3/c1-11(2,5-16)15-10(17)9-7(13)3-6(18-12)4-8(9)14/h3-4,16H,5H2,1-2H3,(H,15,17).
What are the key properties of [3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite?
[3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite has a molecular weight of 279.67 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite is sourced from PubChem (CID 142805040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).