3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide

C16H16Br2N2O — CID 107272746

IUPAC3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
SMILESCc1cc(Br)c(NC(=O)CCc2ccccc2N)c(Br)c1
InChIInChI=1S/C16H16Br2N2O/c1-10-8-12(17)16(13(18)9-10)20-15(21)7-6-11-4-2-3-5-14(11)19/h2-5,8-9H,6-7,19H2,1H3,(H,20,21)
InChIKeySKGKLLIFSYIQLC-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.67
Rot. Bonds4

About 3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide

3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide (PubChem CID 107272746) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
PubChem CID107272746
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Name3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
SMILESCc1cc(Br)c(NC(=O)CCc2ccccc2N)c(Br)c1
InChIInChI=1S/C16H16Br2N2O/c1-10-8-12(17)16(13(18)9-10)20-15(21)7-6-11-4-2-3-5-14(11)19/h2-5,8-9H,6-7,19H2,1H3,(H,20,21)
InChIKeySKGKLLIFSYIQLC-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-(3,5-dimethylphenyl)propanamide
CID 28713886
N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide
CID 62366372
3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide
CID 107599852
3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 43309199
3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 43309208
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233
3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28714106
3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805
3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide
CID 107273305
3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 115571577
3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 107273103
N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide
CID 116813639

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide (CID 107272746) is 3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide is Cc1cc(Br)c(NC(=O)CCc2ccccc2N)c(Br)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide?
The InChIKey is SKGKLLIFSYIQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-10-8-12(17)16(13(18)9-10)20-15(21)7-6-11-4-2-3-5-14(11)19/h2-5,8-9H,6-7,19H2,1H3,(H,20,21).
What are the key properties of 3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide?
3-(2-aminophenyl)-N-(2,6-dibromo-4-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 3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide is sourced from PubChem (CID 107272746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).