2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide

C15H14BrClN2O — CID 81270389

IUPAC2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C15H14BrClN2O/c16-12-7-6-11(17)9-14(12)19-15(20)13(18)8-10-4-2-1-3-5-10/h1-7,9,13H,8,18H2,(H,19,20)
InChIKeyGGGVGDDEGZILBW-UHFFFAOYSA-N
MW353.65 g/mol
LogP3.61
Rot. Bonds4

About 2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide

2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide (PubChem CID 81270389) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide
PubChem CID81270389
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C15H14BrClN2O/c16-12-7-6-11(17)9-14(12)19-15(20)13(18)8-10-4-2-1-3-5-10/h1-7,9,13H,8,18H2,(H,19,20)
InChIKeyGGGVGDDEGZILBW-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61180359
2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide
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1-benzyl-3-(2-bromo-5-chlorophenyl)urea
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(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 104877710
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
N-(2-bromo-5-chlorophenyl)-2-hydroxy-2-phenylacetamide
CID 114038606
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303
(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide
CID 81271294
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide (CID 81270389) is 2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide?
The InChIKey is GGGVGDDEGZILBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c16-12-7-6-11(17)9-14(12)19-15(20)13(18)8-10-4-2-1-3-5-10/h1-7,9,13H,8,18H2,(H,19,20).
What are the key properties of 2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide?
2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide has a molecular weight of 353.65 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 81270389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).