N-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide

C12H17BrN2O — CID 100816637

IUPACN-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide
SMILESCc1cc(N)cc(Br)c1NC(=O)CC(C)C
InChIInChI=1S/C12H17BrN2O/c1-7(2)4-11(16)15-12-8(3)5-9(14)6-10(12)13/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyFHNZSGMTIDWTIY-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.32
Rot. Bonds3

About N-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide

N-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide (PubChem CID 100816637) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide
PubChem CID100816637
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide
SMILESCc1cc(N)cc(Br)c1NC(=O)CC(C)C
InChIInChI=1S/C12H17BrN2O/c1-7(2)4-11(16)15-12-8(3)5-9(14)6-10(12)13/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyFHNZSGMTIDWTIY-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.32
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-ethyl-6-methylphenyl)-3-methylbutanamide
CID 50879810
N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 100828331
N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 100828316
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(2-amino-4,5-dimethylphenyl)-3-methylbutanamide
CID 28691546
N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide
CID 112555256
N-(4-amino-2-bromo-6-methylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 100828348
N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide
CID 43549958
N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide
CID 62366372
N-(4-amino-2,6-dibromophenyl)hexanamide
CID 43549305
N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 50880984
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide?
The IUPAC name of N-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide (CID 100816637) is N-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide?
The canonical SMILES for N-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide is Cc1cc(N)cc(Br)c1NC(=O)CC(C)C.
What is the InChIKey of N-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide?
The InChIKey is FHNZSGMTIDWTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-7(2)4-11(16)15-12-8(3)5-9(14)6-10(12)13/h5-7H,4,14H2,1-3H3,(H,15,16).
What are the key properties of N-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide?
N-(4-amino-2-bromo-6-methylphenyl)-3-methylbutanamide has a molecular weight of 285.19 g/mol, XLogP of 3.32, 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-bromo-6-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 100816637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).