3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide

C12H16BrNO2 — CID 115884425

IUPAC3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(O)C(C)(C)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8(15)12(2,3)14-11(16)9-5-4-6-10(13)7-9/h4-8,15H,1-3H3,(H,14,16)
InChIKeyYHUXDANYVCOGOJ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.34
Rot. Bonds3

About 3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide

3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide (PubChem CID 115884425) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
PubChem CID115884425
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(O)C(C)(C)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8(15)12(2,3)14-11(16)9-5-4-6-10(13)7-9/h4-8,15H,1-3H3,(H,14,16)
InChIKeyYHUXDANYVCOGOJ-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide
CID 3434311
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347743
2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
CID 61262617
5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 115884352
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide
CID 104579484
(2R)-2-[(3-bromobenzoyl)amino]-2-methyl-4-oxobutanoic acid
CID 54368955
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
(2R)-2-[(3-bromobenzoyl)amino]-2-methylpent-4-enoic acid
CID 57080201
2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide
CID 3108510
(2S)-2-[(3-bromobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61143086
3-bromo-N-[3-(chloromethyl)pentan-3-yl]benzamide
CID 114304614
3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 63523704

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide (CID 115884425) is 3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide is CC(O)C(C)(C)NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide?
The InChIKey is YHUXDANYVCOGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(15)12(2,3)14-11(16)9-5-4-6-10(13)7-9/h4-8,15H,1-3H3,(H,14,16).
What are the key properties of 3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide?
3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide has a molecular weight of 286.17 g/mol, XLogP of 2.34, 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-methylbutan-2-yl)benzamide is sourced from PubChem (CID 115884425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).