(2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide

C17H17Br2NO4 — CID 10389466

IUPAC(2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide
SMILESO=C(NCCc1ccc(O)c(Br)c1)[C@@H](O)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C17H17Br2NO4/c18-12-7-10(1-3-14(12)21)5-6-20-17(24)16(23)9-11-2-4-15(22)13(19)8-11/h1-4,7-8,16,21-23H,5-6,9H2,(H,20,24)/t16-/m0/s1
InChIKeyXDXWMGYLNXERJK-INIZCTEOSA-N
MW459.13 g/mol
LogP2.89
Rot. Bonds6

About (2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide

(2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide (PubChem CID 10389466) has the molecular formula C17H17Br2NO4 and a molecular weight of 459.13 g/mol. Its IUPAC name is (2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide
PubChem CID10389466
Molecular FormulaC17H17Br2NO4
Molecular Weight459.13 g/mol
Exact Mass456.95
IUPAC Name(2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide
SMILESO=C(NCCc1ccc(O)c(Br)c1)[C@@H](O)Cc1ccc(O)c(Br)c1
InChIInChI=1S/C17H17Br2NO4/c18-12-7-10(1-3-14(12)21)5-6-20-17(24)16(23)9-11-2-4-15(22)13(19)8-11/h1-4,7-8,16,21-23H,5-6,9H2,(H,20,24)/t16-/m0/s1
InChIKeyXDXWMGYLNXERJK-INIZCTEOSA-N
XLogP2.89
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.13
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide
CID 69294862
N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 59187260
methyl 2-amino-3-(3-bromo-4-hydroxyphenyl)propanoate
CID 86137905
2-bromo-4-(2-methylpropyl)phenol;hydrobromide
CID 162312266
3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide
CID 53245952
(2S)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 119299748
3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide
CID 115180792
(2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 119299762
(2E)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-3-(3-bromo-4-methoxyphenyl)-2-hydroxyiminopropanamide
CID 10552935
2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 55146378
3-[3-bromo-5-[3-bromo-5-[3-[2-(3-bromo-4-hydroxyphenyl)ethylamino]-2-hydroxyimino-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-N-[2-(3-bromo-4-methylphenyl)ethyl]-2-hydroxyiminopropanamide
CID 72656552
N-[2-(4-fluorophenyl)ethyl]-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanamide
CID 25109287

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide (CID 10389466) is (2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide is O=C(NCCc1ccc(O)c(Br)c1)[C@@H](O)Cc1ccc(O)c(Br)c1.
What is the InChIKey of (2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide?
The InChIKey is XDXWMGYLNXERJK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17Br2NO4/c18-12-7-10(1-3-14(12)21)5-6-20-17(24)16(23)9-11-2-4-15(22)13(19)8-11/h1-4,7-8,16,21-23H,5-6,9H2,(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide?
(2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide has a molecular weight of 459.13 g/mol, XLogP of 2.89, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-bromo-4-hydroxyphenyl)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxypropanamide is sourced from PubChem (CID 10389466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).