2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide

C12H15BrFNO2 — CID 115360486

IUPAC2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CO)CNC(=O)c1cccc(F)c1Br
InChIInChI=1S/C12H15BrFNO2/c1-12(2,7-16)6-15-11(17)8-4-3-5-9(14)10(8)13/h3-5,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyQRBFXDQAKRJLSB-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.34
Rot. Bonds4

About 2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide

2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide (PubChem CID 115360486) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
PubChem CID115360486
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CO)CNC(=O)c1cccc(F)c1Br
InChIInChI=1S/C12H15BrFNO2/c1-12(2,7-16)6-15-11(17)8-4-3-5-9(14)10(8)13/h3-5,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyQRBFXDQAKRJLSB-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 100615294
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106143245
2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide
CID 114295348
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293967
4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421
2-bromo-3-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317884
2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide
CID 106854194
3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 112576097
2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide
CID 113410640
2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide
CID 106287681
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The IUPAC name of 2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide (CID 115360486) is 2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The canonical SMILES for 2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide is CC(C)(CO)CNC(=O)c1cccc(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The InChIKey is QRBFXDQAKRJLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-12(2,7-16)6-15-11(17)8-4-3-5-9(14)10(8)13/h3-5,16H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide has a molecular weight of 304.16 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 115360486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).