3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide

C15H16BrN3O — CID 115934504

IUPAC3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide
SMILESCC(Nc1c(N)cccc1C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C15H16BrN3O/c1-9(10-4-2-5-11(16)8-10)19-14-12(15(18)20)6-3-7-13(14)17/h2-9,19H,17H2,1H3,(H2,18,20)
InChIKeyZLLWRHWQFUALCZ-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.30
Rot. Bonds4

About 3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide

3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide (PubChem CID 115934504) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide.

Molecular Properties

Compound Name3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide
PubChem CID115934504
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide
SMILESCC(Nc1c(N)cccc1C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C15H16BrN3O/c1-9(10-4-2-5-11(16)8-10)19-14-12(15(18)20)6-3-7-13(14)17/h2-9,19H,17H2,1H3,(H2,18,20)
InChIKeyZLLWRHWQFUALCZ-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-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide
CID 79099168
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
3-amino-2-(pentan-2-ylamino)benzamide
CID 112577695
6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207097
4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide
CID 125464660
N-[1-(3-bromophenyl)ethyl]-1-carbamothioylcyclopropane-1-carboxamide
CID 80589225
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
(2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide
CID 35643780
2-[1-(3-bromophenyl)ethylamino]-2-phenylacetamide
CID 56811839
(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 96528244
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide?
The IUPAC name of 3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide (CID 115934504) is 3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide.
What is the SMILES notation for 3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide?
The canonical SMILES for 3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide is CC(Nc1c(N)cccc1C(N)=O)c1cccc(Br)c1.
What is the InChIKey of 3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide?
The InChIKey is ZLLWRHWQFUALCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-9(10-4-2-5-11(16)8-10)19-14-12(15(18)20)6-3-7-13(14)17/h2-9,19H,17H2,1H3,(H2,18,20).
What are the key properties of 3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide?
3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide 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 3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide is sourced from PubChem (CID 115934504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).