2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide

C11H13BrFNO3 — CID 66169373

IUPAC2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide
SMILESCC(O)(CO)CNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFNO3/c1-11(17,6-15)5-14-10(16)8-4-7(13)2-3-9(8)12/h2-4,15,17H,5-6H2,1H3,(H,14,16)
InChIKeyQXKQMRCZPXQYRB-UHFFFAOYSA-N
MW306.13 g/mol
LogP1.06
Rot. Bonds4

About 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide

2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide (PubChem CID 66169373) has the molecular formula C11H13BrFNO3 and a molecular weight of 306.13 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide
PubChem CID66169373
Molecular FormulaC11H13BrFNO3
Molecular Weight306.13 g/mol
Exact Mass305.01
IUPAC Name2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide
SMILESCC(O)(CO)CNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFNO3/c1-11(17,6-15)5-14-10(16)8-4-7(13)2-3-9(8)12/h2-4,15,17H,5-6H2,1H3,(H,14,16)
InChIKeyQXKQMRCZPXQYRB-UHFFFAOYSA-N
XLogP1.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150
2-bromo-5-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 113258866
2-bromo-N-(3-chloro-2,2-dimethylpropyl)-5-fluorobenzamide
CID 115364720
2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
CID 103461894
2-bromo-N-(5-bromo-2,2-dimethylpentyl)-5-fluorobenzamide
CID 114149717
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide
CID 66170625
ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
CID 47257275
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292
2-bromo-5-fluoro-N',N'-dimethylbenzohydrazide
CID 9180913
2-bromo-4-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772342

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide (CID 66169373) is 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide is CC(O)(CO)CNC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide?
The InChIKey is QXKQMRCZPXQYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO3/c1-11(17,6-15)5-14-10(16)8-4-7(13)2-3-9(8)12/h2-4,15,17H,5-6H2,1H3,(H,14,16).
What are the key properties of 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide?
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide has a molecular weight of 306.13 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide is sourced from PubChem (CID 66169373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).