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

C13H18BrNO — CID 3434311

IUPAC3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide
SMILESCC(NC(=O)c1cccc(Br)c1)C(C)(C)C
InChIInChI=1S/C13H18BrNO/c1-9(13(2,3)4)15-12(16)10-6-5-7-11(14)8-10/h5-9H,1-4H3,(H,15,16)
InChIKeyVQAGNCXLQSXGED-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.61
Rot. Bonds2

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

3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide (PubChem CID 3434311) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide
PubChem CID3434311
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide
SMILESCC(NC(=O)c1cccc(Br)c1)C(C)(C)C
InChIInChI=1S/C13H18BrNO/c1-9(13(2,3)4)15-12(16)10-6-5-7-11(14)8-10/h5-9H,1-4H3,(H,15,16)
InChIKeyVQAGNCXLQSXGED-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(3-bromobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61143086
3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 63523704
3-bromo-N-(3,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 104853017
3-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)benzamide
CID 104827955
3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
CID 115884425
3-bromo-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328579
3-bromobenzoic acid;ethane
CID 143530590
3-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992878
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
3-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51196385
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347743
2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
CID 61262617

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide?
The IUPAC name of 3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide (CID 3434311) is 3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide is CC(NC(=O)c1cccc(Br)c1)C(C)(C)C.
What is the InChIKey of 3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide?
The InChIKey is VQAGNCXLQSXGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(13(2,3)4)15-12(16)10-6-5-7-11(14)8-10/h5-9H,1-4H3,(H,15,16).
What are the key properties of 3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide?
3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide has a molecular weight of 284.20 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide is sourced from PubChem (CID 3434311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).