N-(4-amino-2-bromophenyl)-2-methylbutanamide

C11H15BrN2O — CID 43549561

IUPACN-(4-amino-2-bromophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C11H15BrN2O/c1-3-7(2)11(15)14-10-5-4-8(13)6-9(10)12/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyBAOWMVVULDMNIN-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.02
Rot. Bonds3

About N-(4-amino-2-bromophenyl)-2-methylbutanamide

N-(4-amino-2-bromophenyl)-2-methylbutanamide (PubChem CID 43549561) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-methylbutanamide
PubChem CID43549561
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(4-amino-2-bromophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C11H15BrN2O/c1-3-7(2)11(15)14-10-5-4-8(13)6-9(10)12/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyBAOWMVVULDMNIN-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-fluorophenyl)-2-methylbutanamide
CID 43831298
N-(4-amino-2-bromophenyl)-3-methylpentanamide
CID 114873501
N-(4-amino-2-bromophenyl)-2-ethylhexanamide
CID 43549454
N-(4-amino-2-bromophenyl)butanamide
CID 43549445
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
N-(4-amino-2-bromophenyl)pentanamide
CID 43549447
(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide
CID 40788863
3-amino-N-(2-bromo-4-fluorophenyl)-2-methylpropanamide
CID 62670318
N-(4-amino-2-bromophenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748731
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide
CID 43702668

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-methylbutanamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-methylbutanamide (CID 43549561) is N-(4-amino-2-bromophenyl)-2-methylbutanamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-methylbutanamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-methylbutanamide is CCC(C)C(=O)Nc1ccc(N)cc1Br.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-methylbutanamide?
The InChIKey is BAOWMVVULDMNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-7(2)11(15)14-10-5-4-8(13)6-9(10)12/h4-7H,3,13H2,1-2H3,(H,14,15).
What are the key properties of N-(4-amino-2-bromophenyl)-2-methylbutanamide?
N-(4-amino-2-bromophenyl)-2-methylbutanamide has a molecular weight of 271.16 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2-methylbutanamide is sourced from PubChem (CID 43549561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).