3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide

C16H16Br2N2O — CID 104502256

IUPAC3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide
SMILESCC(CC(=O)Nc1cc(Br)ccc1Br)c1ccc(N)cc1
InChIInChI=1S/C16H16Br2N2O/c1-10(11-2-5-13(19)6-3-11)8-16(21)20-15-9-12(17)4-7-14(15)18/h2-7,9-10H,8,19H2,1H3,(H,20,21)
InChIKeyGZTAIEXWKVVPIJ-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.93
Rot. Bonds4

About 3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide

3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide (PubChem CID 104502256) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide
PubChem CID104502256
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Name3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide
SMILESCC(CC(=O)Nc1cc(Br)ccc1Br)c1ccc(N)cc1
InChIInChI=1S/C16H16Br2N2O/c1-10(11-2-5-13(19)6-3-11)8-16(21)20-15-9-12(17)4-7-14(15)18/h2-7,9-10H,8,19H2,1H3,(H,20,21)
InChIKeyGZTAIEXWKVVPIJ-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
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-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)butanamide
CID 104502253
3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide
CID 104502905
3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide
CID 104778329
3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide
CID 104502828
3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide
CID 104502076
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
CID 104502050
N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide
CID 60842016
3-(4-aminophenyl)-N-(2-cyanophenyl)butanamide
CID 104502015
3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide
CID 102805605
2-chloro-N-(2,5-dibromophenyl)acetamide
CID 3433301
3-(4-aminophenyl)-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 104501972
2-[3-(4-aminophenyl)butanoylamino]butanedioic acid
CID 104502890

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide (CID 104502256) is 3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide is CC(CC(=O)Nc1cc(Br)ccc1Br)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide?
The InChIKey is GZTAIEXWKVVPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-10(11-2-5-13(19)6-3-11)8-16(21)20-15-9-12(17)4-7-14(15)18/h2-7,9-10H,8,19H2,1H3,(H,20,21).
What are the key properties of 3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide?
3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide has a molecular weight of 412.13 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide is sourced from PubChem (CID 104502256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).