N-(4-amino-2-bromophenyl)-3-methylpentanamide

C12H17BrN2O — CID 114873501

IUPACN-(4-amino-2-bromophenyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C12H17BrN2O/c1-3-8(2)6-12(16)15-11-5-4-9(14)7-10(11)13/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyNVRHXHCSPLHKSP-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.41
Rot. Bonds4

About N-(4-amino-2-bromophenyl)-3-methylpentanamide

N-(4-amino-2-bromophenyl)-3-methylpentanamide (PubChem CID 114873501) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-3-methylpentanamide
PubChem CID114873501
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(4-amino-2-bromophenyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C12H17BrN2O/c1-3-8(2)6-12(16)15-11-5-4-9(14)7-10(11)13/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyNVRHXHCSPLHKSP-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.41
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-bromophenyl)-2-methylbutanamide
CID 43549561
N-(4-amino-2-bromophenyl)butanamide
CID 43549445
4-amino-2-(3-methylpentanoylamino)benzoic acid
CID 114873524
N-(4-amino-2-bromophenyl)pentanamide
CID 43549447
N-(2-amino-4-methylphenyl)-3-methylpentanamide
CID 114873461
N-(4-amino-2-bromophenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748731
N-(2,4-dimethylphenyl)-3-methylpentanamide
CID 54564506
N-(4-amino-2-bromophenyl)-2-ethylhexanamide
CID 43549454
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43376162
N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide
CID 43376800
N'-(2-bromo-4-methylphenyl)-2-methylbutanediamide
CID 82124662

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-3-methylpentanamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-3-methylpentanamide (CID 114873501) is N-(4-amino-2-bromophenyl)-3-methylpentanamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-3-methylpentanamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-3-methylpentanamide is CCC(C)CC(=O)Nc1ccc(N)cc1Br.
What is the InChIKey of N-(4-amino-2-bromophenyl)-3-methylpentanamide?
The InChIKey is NVRHXHCSPLHKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-8(2)6-12(16)15-11-5-4-9(14)7-10(11)13/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(4-amino-2-bromophenyl)-3-methylpentanamide?
N-(4-amino-2-bromophenyl)-3-methylpentanamide has a molecular weight of 285.19 g/mol, XLogP of 3.41, 4 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)-3-methylpentanamide is sourced from PubChem (CID 114873501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).