2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide

C17H17Br2NO2 — CID 11839379

IUPAC2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2Br)cc1C
InChIInChI=1S/C17H17Br2NO2/c1-10-4-6-14(8-11(10)2)20-17(21)12(3)22-16-7-5-13(18)9-15(16)19/h4-9,12H,1-3H3,(H,20,21)
InChIKeyVOTXVSSJWRKPAK-UHFFFAOYSA-N
MW427.14 g/mol
LogP5.23
Rot. Bonds4

About 2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide

2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide (PubChem CID 11839379) has the molecular formula C17H17Br2NO2 and a molecular weight of 427.14 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide
PubChem CID11839379
Molecular FormulaC17H17Br2NO2
Molecular Weight427.14 g/mol
Exact Mass424.96
IUPAC Name2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2Br)cc1C
InChIInChI=1S/C17H17Br2NO2/c1-10-4-6-14(8-11(10)2)20-17(21)12(3)22-16-7-5-13(18)9-15(16)19/h4-9,12H,1-3H3,(H,20,21)
InChIKeyVOTXVSSJWRKPAK-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.14
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
CID 5043403
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
(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
(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9173242
(2S)-N-(4-butylphenyl)-2-(2,4-dibromophenoxy)propanamide
CID 40736851
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
N-(4-bromo-3-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 43876544
(2S)-N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9172441
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide (CID 11839379) is 2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2Br)cc1C.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is VOTXVSSJWRKPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO2/c1-10-4-6-14(8-11(10)2)20-17(21)12(3)22-16-7-5-13(18)9-15(16)19/h4-9,12H,1-3H3,(H,20,21).
What are the key properties of 2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide?
2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide has a molecular weight of 427.14 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 11839379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).