3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

C11H13F2NO2 — CID 43390562

IUPAC3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO2/c1-11(2,6-15)14-10(16)7-3-8(12)5-9(13)4-7/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyHOSTZKNEKYCVCI-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.47
Rot. Bonds3

About 3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 43390562) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID43390562
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO2/c1-11(2,6-15)14-10(16)7-3-8(12)5-9(13)4-7/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyHOSTZKNEKYCVCI-UHFFFAOYSA-N
XLogP1.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944768
N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide
CID 66170625
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
4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 91636058
2-[(3,5-difluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79796236
6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 63980448
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
N-[3-(chloromethyl)pentan-3-yl]-3,5-difluorobenzamide
CID 114304531
3-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-fluorobenzamide
CID 114008312
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-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 43390562) is 3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is HOSTZKNEKYCVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-11(2,6-15)14-10(16)7-3-8(12)5-9(13)4-7/h3-5,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 229.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 43390562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).