(2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide

C15H14Br2N2O2 — CID 104904807

IUPAC(2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C15H14Br2N2O2/c16-10-3-6-14(12(17)8-10)19-15(21)13(18)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7,18H2,(H,19,21)/t13-/m1/s1
InChIKeyVSFZNXMRZGJTFS-CYBMUJFWSA-N
MW414.10 g/mol
LogP3.43
Rot. Bonds4

About (2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 104904807) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID104904807
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name(2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C15H14Br2N2O2/c16-10-3-6-14(12(17)8-10)19-15(21)13(18)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7,18H2,(H,19,21)/t13-/m1/s1
InChIKeyVSFZNXMRZGJTFS-CYBMUJFWSA-N
XLogP3.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide
CID 61180359
(2R)-2-amino-N-(4-bromo-2-chlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904692
(2S)-2-amino-N-(5-bromo-2-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 61154211
(2S)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3-(4-hydroxyphenyl)propanamide
CID 81495580
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904678
(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904689
(2S)-2-amino-N-(2-bromo-3-chlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 103479342
2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892216
(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 61149131
2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892554
(2R)-2-amino-N-(2-chloro-5-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 107528596
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide (CID 104904807) is (2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide is N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of (2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is VSFZNXMRZGJTFS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c16-10-3-6-14(12(17)8-10)19-15(21)13(18)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7,18H2,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 414.10 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104904807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).