3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide

C15H14Br2N2O — CID 80700531

IUPAC3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide
SMILESNc1cccc(CCC(=O)Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H14Br2N2O/c16-11-5-6-13(17)14(9-11)19-15(20)7-4-10-2-1-3-12(18)8-10/h1-3,5-6,8-9H,4,7,18H2,(H,19,20)
InChIKeyVYNLEVUOKZDQEB-UHFFFAOYSA-N
MW398.10 g/mol
LogP4.37
Rot. Bonds4

About 3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide

3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide (PubChem CID 80700531) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide
PubChem CID80700531
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide
SMILESNc1cccc(CCC(=O)Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H14Br2N2O/c16-11-5-6-13(17)14(9-11)19-15(20)7-4-10-2-1-3-12(18)8-10/h1-3,5-6,8-9H,4,7,18H2,(H,19,20)
InChIKeyVYNLEVUOKZDQEB-UHFFFAOYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 54.37
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-(3-aminophenyl)-N-(3-bromophenyl)propanamide
CID 28713600
3-(3-aminophenyl)-N-(5-bromo-2,4-difluorophenyl)propanamide
CID 102852363
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258
3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide
CID 28713636
2-[3-(3-aminophenyl)propanoylamino]benzoic acid
CID 115341270
3-amino-N-(2,5-dibromophenyl)benzamide
CID 43714178
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 115341637
4-bromo-2-(3-phenylpropanoylamino)benzoic acid
CID 60915838
N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide
CID 62908416
N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide
CID 60621107
N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide
CID 115273748

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide (CID 80700531) is 3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide is Nc1cccc(CCC(=O)Nc2cc(Br)ccc2Br)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide?
The InChIKey is VYNLEVUOKZDQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c16-11-5-6-13(17)14(9-11)19-15(20)7-4-10-2-1-3-12(18)8-10/h1-3,5-6,8-9H,4,7,18H2,(H,19,20).
What are the key properties of 3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide?
3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide has a molecular weight of 398.10 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide is sourced from PubChem (CID 80700531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).