3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide

C13H18BrNO2 — CID 113347743

IUPAC3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-12(2,13(3,4)17)15-11(16)9-6-5-7-10(14)8-9/h5-8,17H,1-4H3,(H,15,16)
InChIKeyPLPMRJHNTCUETN-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.73
Rot. Bonds3

About 3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide

3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide (PubChem CID 113347743) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
PubChem CID113347743
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-12(2,13(3,4)17)15-11(16)9-6-5-7-10(14)8-9/h5-8,17H,1-4H3,(H,15,16)
InChIKeyPLPMRJHNTCUETN-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
CID 61262617
3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
CID 115884425
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide
CID 104579484
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide
CID 3434311
2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide
CID 3108510
3-bromo-N-[3-(chloromethyl)pentan-3-yl]benzamide
CID 114304614
methyl 2-[(3-bromobenzoyl)amino]-3,3,3-trifluoro-2-hydroxypropanoate
CID 21204889
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
(2R)-2-[(3-bromobenzoyl)amino]-2-methyl-4-oxobutanoic acid
CID 54368955
(2R)-2-[(3-bromobenzoyl)amino]-2-methylpent-4-enoic acid
CID 57080201
2-bromo-1-(3-bromophenyl)-2-methylpropan-1-one
CID 95403688

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
The IUPAC name of 3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide (CID 113347743) is 3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide is CC(C)(O)C(C)(C)NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
The InChIKey is PLPMRJHNTCUETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-12(2,13(3,4)17)15-11(16)9-6-5-7-10(14)8-9/h5-8,17H,1-4H3,(H,15,16).
What are the key properties of 3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide has a molecular weight of 300.20 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide is sourced from PubChem (CID 113347743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).