3-bromo-N-(2-methylbutyl)benzamide

C12H16BrNO — CID 62693100

IUPAC3-bromo-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c1-3-9(2)8-14-12(15)10-5-4-6-11(13)7-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyHCSHRYDZFGBNFJ-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.22
Rot. Bonds4

About 3-bromo-N-(2-methylbutyl)benzamide

3-bromo-N-(2-methylbutyl)benzamide (PubChem CID 62693100) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-bromo-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-methylbutyl)benzamide
PubChem CID62693100
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-bromo-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c1-3-9(2)8-14-12(15)10-5-4-6-11(13)7-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyHCSHRYDZFGBNFJ-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 82684044
1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
CID 70884498
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424
3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide
CID 115613542
3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
CID 119765648
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
3-bromo-N-(5-chloro-4-methylpentyl)benzamide
CID 106157091
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide
CID 114313254

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylbutyl)benzamide?
The IUPAC name of 3-bromo-N-(2-methylbutyl)benzamide (CID 62693100) is 3-bromo-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-methylbutyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-methylbutyl)benzamide is CCC(C)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-methylbutyl)benzamide?
The InChIKey is HCSHRYDZFGBNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-3-9(2)8-14-12(15)10-5-4-6-11(13)7-10/h4-7,9H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-N-(2-methylbutyl)benzamide?
3-bromo-N-(2-methylbutyl)benzamide has a molecular weight of 270.17 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 62693100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).