3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide

C13H18BrNO2 — CID 103772540

IUPAC3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
SMILESCC(C)(CCO)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-13(2,6-7-16)9-15-12(17)10-4-3-5-11(14)8-10/h3-5,8,16H,6-7,9H2,1-2H3,(H,15,17)
InChIKeyYNNFLEZPFILCEQ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.59
Rot. Bonds5

About 3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide

3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide (PubChem CID 103772540) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
PubChem CID103772540
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
SMILESCC(C)(CCO)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-13(2,6-7-16)9-15-12(17)10-4-3-5-11(14)8-10/h3-5,8,16H,6-7,9H2,1-2H3,(H,15,17)
InChIKeyYNNFLEZPFILCEQ-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 113434323
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide
CID 130552052
2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 104920342
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
5-bromo-2-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772446
N-(4-bromo-2,2-dimethylbutyl)-3-chlorobenzamide
CID 106143855
tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate
CID 110668964
4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide
CID 114149573

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The IUPAC name of 3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide (CID 103772540) is 3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The canonical SMILES for 3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide is CC(C)(CCO)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The InChIKey is YNNFLEZPFILCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-13(2,6-7-16)9-15-12(17)10-4-3-5-11(14)8-10/h3-5,8,16H,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of 3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide has a molecular weight of 300.20 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide is sourced from PubChem (CID 103772540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).