N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide

C16H16Br2N2O — CID 62366372

IUPACN-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1c(Br)cc(N)cc1Br
InChIInChI=1S/C16H16Br2N2O/c1-10-4-2-3-5-11(10)6-7-15(21)20-16-13(17)8-12(19)9-14(16)18/h2-5,8-9H,6-7,19H2,1H3,(H,20,21)
InChIKeyWVCLYXKNKGVJLA-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.67
Rot. Bonds4

About N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide

N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide (PubChem CID 62366372) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide
PubChem CID62366372
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC NameN-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1c(Br)cc(N)cc1Br
InChIInChI=1S/C16H16Br2N2O/c1-10-4-2-3-5-11(10)6-7-15(21)20-16-13(17)8-12(19)9-14(16)18/h2-5,8-9H,6-7,19H2,1H3,(H,20,21)
InChIKeyWVCLYXKNKGVJLA-UHFFFAOYSA-N
XLogP4.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.67
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

3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 107272746
N-(2-amino-4,6-dibromophenyl)-2-(2-methylphenyl)acetamide
CID 43548495
N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 100828331
N-(4-amino-2,6-dibromophenyl)hexanamide
CID 43549305
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide
CID 62365496
N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 103819476
N-(6-amino-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 62901141
N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 102979199
N-(2-amino-6-methylphenyl)-2-(2-methylphenyl)acetamide
CID 43152283

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide (CID 62366372) is N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)Nc1c(Br)cc(N)cc1Br.
What is the InChIKey of N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide?
The InChIKey is WVCLYXKNKGVJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-10-4-2-3-5-11(10)6-7-15(21)20-16-13(17)8-12(19)9-14(16)18/h2-5,8-9H,6-7,19H2,1H3,(H,20,21).
What are the key properties of N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide?
N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide has a molecular weight of 412.13 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 62366372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).