3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide

C13H16BrNO2 — CID 104851606

IUPAC3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide
SMILESCCC(=O)C(C)NC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H16BrNO2/c1-4-12(16)9(3)15-13(17)10-5-8(2)6-11(14)7-10/h5-7,9H,4H2,1-3H3,(H,15,17)
InChIKeyAXYZKNZKCHIYQN-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.85
Rot. Bonds4

About 3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide

3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide (PubChem CID 104851606) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide
PubChem CID104851606
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide
SMILESCCC(=O)C(C)NC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H16BrNO2/c1-4-12(16)9(3)15-13(17)10-5-8(2)6-11(14)7-10/h5-7,9H,4H2,1-3H3,(H,15,17)
InChIKeyAXYZKNZKCHIYQN-UHFFFAOYSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(3-bromo-5-methylbenzoyl)amino]propanoate
CID 104852542
3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 104852533
3-bromo-5-methyl-N-pentan-3-ylbenzamide
CID 104851702
3-bromo-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 99636875
3-bromo-N-(3,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 104853017
2-[(3-bromo-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 104850643
3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide
CID 104860295
6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide
CID 115353882
(2R)-2-[(3-bromo-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 113460489
3-bromo-N-[(2R)-1-cyanopropan-2-yl]-5-methylbenzamide
CID 99605664
3-bromo-N-(1-ethoxypropan-2-yl)-5-methylbenzamide
CID 104852582
5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 107961893

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide (CID 104851606) is 3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide is CCC(=O)C(C)NC(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide?
The InChIKey is AXYZKNZKCHIYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-4-12(16)9(3)15-13(17)10-5-8(2)6-11(14)7-10/h5-7,9H,4H2,1-3H3,(H,15,17).
What are the key properties of 3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide?
3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide has a molecular weight of 298.18 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide is sourced from PubChem (CID 104851606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).