2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide

C15H16BrN3O — CID 114893954

IUPAC2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide
SMILESNC(=O)c1cc(Br)ccc1NCCc1ccc(N)cc1
InChIInChI=1S/C15H16BrN3O/c16-11-3-6-14(13(9-11)15(18)20)19-8-7-10-1-4-12(17)5-2-10/h1-6,9,19H,7-8,17H2,(H2,18,20)
InChIKeyUFYVJPPIXPSWIT-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.78
Rot. Bonds5

About 2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide

2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide (PubChem CID 114893954) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide
PubChem CID114893954
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide
SMILESNC(=O)c1cc(Br)ccc1NCCc1ccc(N)cc1
InChIInChI=1S/C15H16BrN3O/c16-11-3-6-14(13(9-11)15(18)20)19-8-7-10-1-4-12(17)5-2-10/h1-6,9,19H,7-8,17H2,(H2,18,20)
InChIKeyUFYVJPPIXPSWIT-UHFFFAOYSA-N
XLogP2.78
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropylamino)-5-bromobenzamide
CID 114893923
5-amino-2-(2-thiophen-3-ylethylamino)benzamide
CID 61475711
5-bromo-2-(2-pyrrolidin-2-ylethylamino)benzamide
CID 114894218
5-bromo-2-[2-[(2S)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104982774
7-(4-bromo-2-carbamoylanilino)heptanoic acid
CID 114889974
N-[2-(4-aminophenyl)ethyl]-5-bromo-2-iodobenzamide
CID 103806709
ethyl 4-(4-bromo-2-carbamoylanilino)butanoate
CID 114890139
5-bromo-2-[(2-chloroacetyl)amino]benzamide
CID 12031979
5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
CID 61307952
4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 28903831
2-(2-acetamidoethylamino)-5-aminobenzamide
CID 61306770
5-bromo-2-(butanoylamino)benzamide
CID 12989236

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide?
The IUPAC name of 2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide (CID 114893954) is 2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide.
What is the SMILES notation for 2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide?
The canonical SMILES for 2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide is NC(=O)c1cc(Br)ccc1NCCc1ccc(N)cc1.
What is the InChIKey of 2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide?
The InChIKey is UFYVJPPIXPSWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-11-3-6-14(13(9-11)15(18)20)19-8-7-10-1-4-12(17)5-2-10/h1-6,9,19H,7-8,17H2,(H2,18,20).
What are the key properties of 2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide?
2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide has a molecular weight of 334.22 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide is sourced from PubChem (CID 114893954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).