3-(3-aminophenyl)-N-(3-bromophenyl)propanamide

C15H15BrN2O — CID 28713600

IUPAC3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
SMILESNc1cccc(CCC(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C15H15BrN2O/c16-12-4-2-6-14(10-12)18-15(19)8-7-11-3-1-5-13(17)9-11/h1-6,9-10H,7-8,17H2,(H,18,19)
InChIKeyXZBSOXADVNUHLF-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.60
Rot. Bonds4

About 3-(3-aminophenyl)-N-(3-bromophenyl)propanamide

3-(3-aminophenyl)-N-(3-bromophenyl)propanamide (PubChem CID 28713600) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(3-bromophenyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
PubChem CID28713600
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
SMILESNc1cccc(CCC(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C15H15BrN2O/c16-12-4-2-6-14(10-12)18-15(19)8-7-11-3-1-5-13(17)9-11/h1-6,9-10H,7-8,17H2,(H,18,19)
InChIKeyXZBSOXADVNUHLF-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.60
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-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
3-(3-bromophenyl)-N-(3-hydroxyphenyl)propanamide
CID 78783817
3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide
CID 80700531
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
CID 54795554
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
3-(3-aminophenyl)-N-(3-nitrophenyl)propanamide
CID 115341147
3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 43011243
3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 108933360
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813104
3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 43309050
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795599

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(3-bromophenyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(3-bromophenyl)propanamide (CID 28713600) is 3-(3-aminophenyl)-N-(3-bromophenyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(3-bromophenyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(3-bromophenyl)propanamide is Nc1cccc(CCC(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(3-bromophenyl)propanamide?
The InChIKey is XZBSOXADVNUHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-12-4-2-6-14(10-12)18-15(19)8-7-11-3-1-5-13(17)9-11/h1-6,9-10H,7-8,17H2,(H,18,19).
What are the key properties of 3-(3-aminophenyl)-N-(3-bromophenyl)propanamide?
3-(3-aminophenyl)-N-(3-bromophenyl)propanamide has a molecular weight of 319.20 g/mol, XLogP of 3.60, 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-(3-bromophenyl)propanamide is sourced from PubChem (CID 28713600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).