3-bromo-5-methyl-N-pentan-3-ylbenzamide

C13H18BrNO — CID 104851702

IUPAC3-bromo-5-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-4-12(5-2)15-13(16)10-6-9(3)7-11(14)8-10/h6-8,12H,4-5H2,1-3H3,(H,15,16)
InChIKeyFQWLJLXFPFRGET-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.68
Rot. Bonds4

About 3-bromo-5-methyl-N-pentan-3-ylbenzamide

3-bromo-5-methyl-N-pentan-3-ylbenzamide (PubChem CID 104851702) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-pentan-3-ylbenzamide
PubChem CID104851702
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-bromo-5-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-4-12(5-2)15-13(16)10-6-9(3)7-11(14)8-10/h6-8,12H,4-5H2,1-3H3,(H,15,16)
InChIKeyFQWLJLXFPFRGET-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 104852533
N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide
CID 115999655
3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide
CID 104851606
3-bromo-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 99636875
3-bromo-N-(1-chloro-4-methoxybutan-2-yl)-5-methylbenzamide
CID 114211920
N-(2-aminobutyl)-3-bromo-5-methylbenzamide
CID 115999631
ethyl 2-[(3-bromo-5-methylbenzoyl)amino]propanoate
CID 104852542
3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide
CID 104852694
3-bromo-N-(3,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 104853017
2-[(3-bromo-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 104850643
N-hex-5-yn-3-yl-3,5-dimethylbenzamide
CID 115647283
3-bromo-N-[(2R)-1-cyanopropan-2-yl]-5-methylbenzamide
CID 99605664

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-pentan-3-ylbenzamide?
The IUPAC name of 3-bromo-5-methyl-N-pentan-3-ylbenzamide (CID 104851702) is 3-bromo-5-methyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-bromo-5-methyl-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-pentan-3-ylbenzamide?
The InChIKey is FQWLJLXFPFRGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-4-12(5-2)15-13(16)10-6-9(3)7-11(14)8-10/h6-8,12H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-bromo-5-methyl-N-pentan-3-ylbenzamide?
3-bromo-5-methyl-N-pentan-3-ylbenzamide has a molecular weight of 284.20 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 104851702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).