3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide

C11H13BrFNO2 — CID 106548063

IUPAC3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H13BrFNO2/c1-11(2,16)6-14-10(15)7-4-3-5-8(12)9(7)13/h3-5,16H,6H2,1-2H3,(H,14,15)
InChIKeyLHBSIDVBWKBVAJ-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.09
Rot. Bonds3

About 3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide

3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 106548063) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID106548063
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H13BrFNO2/c1-11(2,16)6-14-10(15)7-4-3-5-8(12)9(7)13/h3-5,16H,6H2,1-2H3,(H,14,15)
InChIKeyLHBSIDVBWKBVAJ-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide
CID 106548223
N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide
CID 107956309
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide
CID 106548051
4-[(3-bromo-2-fluorobenzoyl)amino]butanoic acid
CID 107948926
3-bromo-N-(2-chlorobutyl)-2-fluorobenzamide
CID 107956821
2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103883047
3-bromo-2-fluoro-N-(6-iodohexyl)benzamide
CID 114020519
3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide
CID 106547809
2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95368019
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide (CID 106548063) is 3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide is CC(C)(O)CNC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is LHBSIDVBWKBVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-11(2,16)6-14-10(15)7-4-3-5-8(12)9(7)13/h3-5,16H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 290.13 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 106548063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).