2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide

C11H14Br2N2O — CID 107599748

IUPAC2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide
SMILESCCC(CN)C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C11H14Br2N2O/c1-2-7(6-14)11(16)15-10-8(12)4-3-5-9(10)13/h3-5,7H,2,6,14H2,1H3,(H,15,16)
InChIKeyLDBXCDMGXQIFLX-UHFFFAOYSA-N
MW350.05 g/mol
LogP3.13
Rot. Bonds4

About 2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide

2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide (PubChem CID 107599748) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide
PubChem CID107599748
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC Name2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide
SMILESCCC(CN)C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C11H14Br2N2O/c1-2-7(6-14)11(16)15-10-8(12)4-3-5-9(10)13/h3-5,7H,2,6,14H2,1H3,(H,15,16)
InChIKeyLDBXCDMGXQIFLX-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,6-dibromophenyl)propanamide
CID 12546848
2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide
CID 65225587
3-(aminomethyl)-1-(2-bromophenyl)pentan-2-one
CID 116575083
2-amino-N-(2-bromo-6-fluorophenyl)butanamide
CID 107599827
N-(3-acetylphenyl)-2-(aminomethyl)butanamide
CID 65229339
2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide
CID 115186828
2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide
CID 65230250
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide
CID 107599700
2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide
CID 107470936
2-(aminomethyl)-N-(4-phenylphenyl)butanamide
CID 62254928
2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
CID 65229652

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide (CID 107599748) is 2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide is CCC(CN)C(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of 2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide?
The InChIKey is LDBXCDMGXQIFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c1-2-7(6-14)11(16)15-10-8(12)4-3-5-9(10)13/h3-5,7H,2,6,14H2,1H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide?
2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide has a molecular weight of 350.05 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide is sourced from PubChem (CID 107599748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).