2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide

C15H14Br2N2O — CID 107599693

IUPAC2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide
SMILESNCc1ccccc1CC(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C15H14Br2N2O/c16-12-6-3-7-13(17)15(12)19-14(20)8-10-4-1-2-5-11(10)9-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeySODICXNGUCZAJA-UHFFFAOYSA-N
MW398.10 g/mol
LogP3.85
Rot. Bonds4

About 2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide (PubChem CID 107599693) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide
PubChem CID107599693
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide
SMILESNCc1ccccc1CC(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C15H14Br2N2O/c16-12-6-3-7-13(17)15(12)19-14(20)8-10-4-1-2-5-11(10)9-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeySODICXNGUCZAJA-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide
CID 81499893
2-[2-(2,6-dibromoanilino)-2-oxoethyl]benzoic acid
CID 107596792
2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide
CID 81317663
N-(2,6-dibromophenyl)propanamide
CID 103863189
2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
CID 81313356
2-[2-(aminomethyl)phenyl]-N-(2,3-dimethylphenyl)acetamide
CID 81317941
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 81312309
2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 81317594
2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide
CID 107599647
3-bromo-2-[(2-phenylacetyl)amino]benzoic acid
CID 63112938
N-(3-acetylphenyl)-2-[2-(aminomethyl)phenyl]acetamide
CID 81313310
2-[2-(aminomethyl)phenyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 81318026

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide (CID 107599693) is 2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide is NCc1ccccc1CC(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide?
The InChIKey is SODICXNGUCZAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c16-12-6-3-7-13(17)15(12)19-14(20)8-10-4-1-2-5-11(10)9-18/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide has a molecular weight of 398.10 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide is sourced from PubChem (CID 107599693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).