4-[1-(2,4-dibromophenyl)ethylamino]benzamide

C15H14Br2N2O — CID 60781228

IUPAC4-[1-(2,4-dibromophenyl)ethylamino]benzamide
SMILESCC(Nc1ccc(C(N)=O)cc1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H14Br2N2O/c1-9(13-7-4-11(16)8-14(13)17)19-12-5-2-10(3-6-12)15(18)20/h2-9,19H,1H3,(H2,18,20)
InChIKeyRMUCDKQLIIBDSB-UHFFFAOYSA-N
MW398.10 g/mol
LogP4.48
Rot. Bonds4

About 4-[1-(2,4-dibromophenyl)ethylamino]benzamide

4-[1-(2,4-dibromophenyl)ethylamino]benzamide (PubChem CID 60781228) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 4-[1-(2,4-dibromophenyl)ethylamino]benzamide.

Molecular Properties

Compound Name4-[1-(2,4-dibromophenyl)ethylamino]benzamide
PubChem CID60781228
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name4-[1-(2,4-dibromophenyl)ethylamino]benzamide
SMILESCC(Nc1ccc(C(N)=O)cc1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H14Br2N2O/c1-9(13-7-4-11(16)8-14(13)17)19-12-5-2-10(3-6-12)15(18)20/h2-9,19H,1H3,(H2,18,20)
InChIKeyRMUCDKQLIIBDSB-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2,4-dibromophenyl)ethylamino]benzoic acid
CID 60781692
2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide
CID 60782010
3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide
CID 103935912
3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide
CID 60781874
2-[1-(2,4-dibromophenyl)ethylamino]acetamide
CID 60781147
4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 107618828
3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline
CID 107582202
2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
CID 106344290
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379
2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide
CID 82775381
3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide
CID 97258604
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide
CID 82778357

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dibromophenyl)ethylamino]benzamide?
The IUPAC name of 4-[1-(2,4-dibromophenyl)ethylamino]benzamide (CID 60781228) is 4-[1-(2,4-dibromophenyl)ethylamino]benzamide.
What is the SMILES notation for 4-[1-(2,4-dibromophenyl)ethylamino]benzamide?
The canonical SMILES for 4-[1-(2,4-dibromophenyl)ethylamino]benzamide is CC(Nc1ccc(C(N)=O)cc1)c1ccc(Br)cc1Br.
What is the InChIKey of 4-[1-(2,4-dibromophenyl)ethylamino]benzamide?
The InChIKey is RMUCDKQLIIBDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c1-9(13-7-4-11(16)8-14(13)17)19-12-5-2-10(3-6-12)15(18)20/h2-9,19H,1H3,(H2,18,20).
What are the key properties of 4-[1-(2,4-dibromophenyl)ethylamino]benzamide?
4-[1-(2,4-dibromophenyl)ethylamino]benzamide has a molecular weight of 398.10 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dibromophenyl)ethylamino]benzamide is sourced from PubChem (CID 60781228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).