N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide

C15H14Br2N2O — CID 114374319

IUPACN-(2-amino-2-phenylethyl)-2,5-dibromobenzamide
SMILESNC(CNC(=O)c1cc(Br)ccc1Br)c1ccccc1
InChIInChI=1S/C15H14Br2N2O/c16-11-6-7-13(17)12(8-11)15(20)19-9-14(18)10-4-2-1-3-5-10/h1-8,14H,9,18H2,(H,19,20)
InChIKeyWMWSTDBJTJRONW-UHFFFAOYSA-N
MW398.10 g/mol
LogP3.64
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide

N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide (PubChem CID 114374319) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2,5-dibromobenzamide
PubChem CID114374319
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC NameN-(2-amino-2-phenylethyl)-2,5-dibromobenzamide
SMILESNC(CNC(=O)c1cc(Br)ccc1Br)c1ccccc1
InChIInChI=1S/C15H14Br2N2O/c16-11-6-7-13(17)12(8-11)15(20)19-9-14(18)10-4-2-1-3-5-10/h1-8,14H,9,18H2,(H,19,20)
InChIKeyWMWSTDBJTJRONW-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
CID 114375751
N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide
CID 119529446
N-(2-amino-2-phenylethyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 63120519
N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
CID 63120453
2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 104920633
methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate
CID 104920530
N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide
CID 103806531
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
N-(2-amino-2-phenylethyl)-2,5-difluorobenzamide
CID 63120448
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498
N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
CID 79217268

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide (CID 114374319) is N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide is NC(CNC(=O)c1cc(Br)ccc1Br)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide?
The InChIKey is WMWSTDBJTJRONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c16-11-6-7-13(17)12(8-11)15(20)19-9-14(18)10-4-2-1-3-5-10/h1-8,14H,9,18H2,(H,19,20).
What are the key properties of N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide?
N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide has a molecular weight of 398.10 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide is sourced from PubChem (CID 114374319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).