2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide

C16H15Br2NO3 — CID 5043403

IUPAC2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2Br)cc1O
InChIInChI=1S/C16H15Br2NO3/c1-9-3-5-12(8-14(9)20)19-16(21)10(2)22-15-6-4-11(17)7-13(15)18/h3-8,10,20H,1-2H3,(H,19,21)
InChIKeyXORAVNKUNNPVJK-UHFFFAOYSA-N
MW429.11 g/mol
LogP4.63
Rot. Bonds4

About 2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide

2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide (PubChem CID 5043403) has the molecular formula C16H15Br2NO3 and a molecular weight of 429.11 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
PubChem CID5043403
Molecular FormulaC16H15Br2NO3
Molecular Weight429.11 g/mol
Exact Mass426.94
IUPAC Name2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2Br)cc1O
InChIInChI=1S/C16H15Br2NO3/c1-9-3-5-12(8-14(9)20)19-16(21)10(2)22-15-6-4-11(17)7-13(15)18/h3-8,10,20H,1-2H3,(H,19,21)
InChIKeyXORAVNKUNNPVJK-UHFFFAOYSA-N
XLogP4.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.11
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 11839379
(2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 1019999
(2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide
CID 40736848
(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
CID 1234542
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
(2S)-N-(4-butylphenyl)-2-(2,4-dibromophenoxy)propanamide
CID 40736851
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 43200099
(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2565130
N-(4-bromo-3-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 43876544
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide (CID 5043403) is 2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2Br)cc1O.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide?
The InChIKey is XORAVNKUNNPVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO3/c1-9-3-5-12(8-14(9)20)19-16(21)10(2)22-15-6-4-11(17)7-13(15)18/h3-8,10,20H,1-2H3,(H,19,21).
What are the key properties of 2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide?
2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide has a molecular weight of 429.11 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide is sourced from PubChem (CID 5043403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).