2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide

C15H14Br2N2O — CID 107599647

IUPAC2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide
SMILESNCCc1ccccc1C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C15H14Br2N2O/c16-12-6-3-7-13(17)14(12)19-15(20)11-5-2-1-4-10(11)8-9-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyZJWKTMZNTQJIIH-UHFFFAOYSA-N
MW398.10 g/mol
LogP3.97
Rot. Bonds4

About 2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide

2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide (PubChem CID 107599647) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide
PubChem CID107599647
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide
SMILESNCCc1ccccc1C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C15H14Br2N2O/c16-12-6-3-7-13(17)14(12)19-15(20)11-5-2-1-4-10(11)8-9-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyZJWKTMZNTQJIIH-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-N-(2,6-dichlorophenyl)benzamide
CID 65467630
2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362936
2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide
CID 107599693
2,4-diamino-N-(2,6-dibromophenyl)benzamide
CID 107596119
2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65314197
2-[2-(2,6-dibromoanilino)-2-oxoethyl]benzoic acid
CID 107596792
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 79106240
2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide
CID 79766785
2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
CID 114036184
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
2-(2-aminoethyl)-N-morpholin-4-ylbenzamide
CID 83016133

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide (CID 107599647) is 2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide is NCCc1ccccc1C(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of 2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide?
The InChIKey is ZJWKTMZNTQJIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c16-12-6-3-7-13(17)14(12)19-15(20)11-5-2-1-4-10(11)8-9-18/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide?
2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide has a molecular weight of 398.10 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide is sourced from PubChem (CID 107599647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).