2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide

C15H16BrN3O — CID 114887503

IUPAC2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide
SMILESCC(Nc1cccc(Br)c1C(N)=O)c1ccccc1N
InChIInChI=1S/C15H16BrN3O/c1-9(10-5-2-3-7-12(10)17)19-13-8-4-6-11(16)14(13)15(18)20/h2-9,19H,17H2,1H3,(H2,18,20)
InChIKeyHDNWFWANXSRTKN-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.30
Rot. Bonds4

About 2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide

2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide (PubChem CID 114887503) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide.

Molecular Properties

Compound Name2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide
PubChem CID114887503
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide
SMILESCC(Nc1cccc(Br)c1C(N)=O)c1ccccc1N
InChIInChI=1S/C15H16BrN3O/c1-9(10-5-2-3-7-12(10)17)19-13-8-4-6-11(16)14(13)15(18)20/h2-9,19H,17H2,1H3,(H2,18,20)
InChIKeyHDNWFWANXSRTKN-UHFFFAOYSA-N
XLogP3.30
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 114887955
2-(3-bromo-2-carbamoylanilino)-3-methylbutanoic acid
CID 114880109
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
N-[1-(2-aminophenyl)ethyl]-2-bromo-4-(trifluoromethyl)aniline
CID 115511995
N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
2-bromo-6-(1-piperidin-3-ylethylamino)benzamide
CID 114884744
3-N-[1-(2-fluorophenyl)ethyl]-2-nitrobenzene-1,3-diamine
CID 80802207
3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 107630374
2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid
CID 114880085
N-[1-(2-bromophenyl)ethyl]naphthalen-1-amine
CID 43111727
2-amino-3-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 115545326
2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide
CID 114884778

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide?
The IUPAC name of 2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide (CID 114887503) is 2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide.
What is the SMILES notation for 2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide?
The canonical SMILES for 2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide is CC(Nc1cccc(Br)c1C(N)=O)c1ccccc1N.
What is the InChIKey of 2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide?
The InChIKey is HDNWFWANXSRTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-9(10-5-2-3-7-12(10)17)19-13-8-4-6-11(16)14(13)15(18)20/h2-9,19H,17H2,1H3,(H2,18,20).
What are the key properties of 2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide?
2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide has a molecular weight of 334.22 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminophenyl)ethylamino]-6-bromobenzamide is sourced from PubChem (CID 114887503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).