2-amino-N-(3-bromo-2-methylphenyl)butanamide

C11H15BrN2O — CID 103794806

IUPAC2-amino-N-(3-bromo-2-methylphenyl)butanamide
SMILESCCC(N)C(=O)Nc1cccc(Br)c1C
InChIInChI=1S/C11H15BrN2O/c1-3-9(13)11(15)14-10-6-4-5-8(12)7(10)2/h4-6,9H,3,13H2,1-2H3,(H,14,15)
InChIKeyFFDOQOBDXSYDNA-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.43
Rot. Bonds3

About 2-amino-N-(3-bromo-2-methylphenyl)butanamide

2-amino-N-(3-bromo-2-methylphenyl)butanamide (PubChem CID 103794806) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-2-methylphenyl)butanamide
PubChem CID103794806
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-amino-N-(3-bromo-2-methylphenyl)butanamide
SMILESCCC(N)C(=O)Nc1cccc(Br)c1C
InChIInChI=1S/C11H15BrN2O/c1-3-9(13)11(15)14-10-6-4-5-8(12)7(10)2/h4-6,9H,3,13H2,1-2H3,(H,14,15)
InChIKeyFFDOQOBDXSYDNA-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-bromophenyl)butanamide
CID 43649425
(2S)-2-amino-N-(3-bromo-2-methylphenyl)-3-methylpentanamide
CID 103832917
6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide
CID 107625137
2-amino-N-(4-bromonaphthalen-1-yl)butanamide
CID 113384503
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176
2-amino-N-(2-bromo-6-fluorophenyl)butanamide
CID 107599827
(2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide
CID 79024730
3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide
CID 107625116
N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
CID 104917334
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
CID 103794714

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-2-methylphenyl)butanamide?
The IUPAC name of 2-amino-N-(3-bromo-2-methylphenyl)butanamide (CID 103794806) is 2-amino-N-(3-bromo-2-methylphenyl)butanamide.
What is the SMILES notation for 2-amino-N-(3-bromo-2-methylphenyl)butanamide?
The canonical SMILES for 2-amino-N-(3-bromo-2-methylphenyl)butanamide is CCC(N)C(=O)Nc1cccc(Br)c1C.
What is the InChIKey of 2-amino-N-(3-bromo-2-methylphenyl)butanamide?
The InChIKey is FFDOQOBDXSYDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-9(13)11(15)14-10-6-4-5-8(12)7(10)2/h4-6,9H,3,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(3-bromo-2-methylphenyl)butanamide?
2-amino-N-(3-bromo-2-methylphenyl)butanamide has a molecular weight of 271.16 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-2-methylphenyl)butanamide is sourced from PubChem (CID 103794806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).