(2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide

C15H14Br2N2O — CID 61180359

IUPAC(2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C15H14Br2N2O/c16-11-6-7-14(12(17)9-11)19-15(20)13(18)8-10-4-2-1-3-5-10/h1-7,9,13H,8,18H2,(H,19,20)/t13-/m0/s1
InChIKeyFLNPKCBSHNEZEU-ZDUSSCGKSA-N
MW398.10 g/mol
LogP3.72
Rot. Bonds4

About (2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide

(2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide (PubChem CID 61180359) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide
PubChem CID61180359
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name(2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C15H14Br2N2O/c16-11-6-7-14(12(17)9-11)19-15(20)13(18)8-10-4-2-1-3-5-10/h1-7,9,13H,8,18H2,(H,19,20)/t13-/m0/s1
InChIKeyFLNPKCBSHNEZEU-ZDUSSCGKSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904807
2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide
CID 81270389
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 104877710
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
(2R)-2-amino-N-(4-bromo-2-chlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904692
2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide
CID 114929090
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 63334484
(2S)-2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 22691230
(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide (CID 61180359) is (2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of (2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide?
The InChIKey is FLNPKCBSHNEZEU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c16-11-6-7-14(12(17)9-11)19-15(20)13(18)8-10-4-2-1-3-5-10/h1-7,9,13H,8,18H2,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide has a molecular weight of 398.10 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide is sourced from PubChem (CID 61180359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).