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

C14H20BrNO — CID 104852533

IUPAC3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-5-10(3)11(4)16-14(17)12-6-9(2)7-13(15)8-12/h6-8,10-11H,5H2,1-4H3,(H,16,17)
InChIKeyQFQWHOLWMQKSJC-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.92
Rot. Bonds4

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

3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide (PubChem CID 104852533) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide
PubChem CID104852533
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-5-10(3)11(4)16-14(17)12-6-9(2)7-13(15)8-12/h6-8,10-11H,5H2,1-4H3,(H,16,17)
InChIKeyQFQWHOLWMQKSJC-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 99636875
3-bromo-5-methyl-N-pentan-3-ylbenzamide
CID 104851702
ethyl 2-[(3-bromo-5-methylbenzoyl)amino]propanoate
CID 104852542
3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide
CID 104851606
3-bromo-N-(1-ethoxypropan-2-yl)-5-methylbenzamide
CID 104852582
2-[(3,5-dibromobenzoyl)amino]-3-methylpentanoic acid
CID 114022455
3-bromo-N-(3,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 104853017
3,5-diamino-N-(3-methylpentan-2-yl)benzamide
CID 54950045
2-[(3-bromo-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 104850643
(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-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide
CID 104860295

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide (CID 104852533) is 3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide is CCC(C)C(C)NC(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide?
The InChIKey is QFQWHOLWMQKSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-5-10(3)11(4)16-14(17)12-6-9(2)7-13(15)8-12/h6-8,10-11H,5H2,1-4H3,(H,16,17).
What are the key properties of 3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide?
3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide has a molecular weight of 298.22 g/mol, XLogP of 3.92, 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-(3-methylpentan-2-yl)benzamide is sourced from PubChem (CID 104852533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).