(2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide

C17H17Br2NO2 — CID 1019999

IUPAC(2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1
InChIInChI=1S/C17H17Br2NO2/c1-10-6-11(2)8-14(7-10)20-17(21)12(3)22-16-5-4-13(18)9-15(16)19/h4-9,12H,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyPCWZPFHNDZKNPD-GFCCVEGCSA-N
MW427.14 g/mol
LogP5.23
Rot. Bonds4

About (2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide

(2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide (PubChem CID 1019999) has the molecular formula C17H17Br2NO2 and a molecular weight of 427.14 g/mol. Its IUPAC name is (2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide
PubChem CID1019999
Molecular FormulaC17H17Br2NO2
Molecular Weight427.14 g/mol
Exact Mass424.96
IUPAC Name(2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1
InChIInChI=1S/C17H17Br2NO2/c1-10-6-11(2)8-14(7-10)20-17(21)12(3)22-16-5-4-13(18)9-15(16)19/h4-9,12H,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyPCWZPFHNDZKNPD-GFCCVEGCSA-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-(3,4-dimethylphenyl)propanamide
CID 11839379
2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
CID 5043403
(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
CID 1234542
(2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide
CID 40736848
2-(2,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 6916117
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 43200099
(2S)-N-(4-butylphenyl)-2-(2,4-dibromophenoxy)propanamide
CID 40736851
(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2565130
(2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 7695759
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
CID 4928504

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of (2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide (CID 1019999) is (2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1.
What is the InChIKey of (2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is PCWZPFHNDZKNPD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17Br2NO2/c1-10-6-11(2)8-14(7-10)20-17(21)12(3)22-16-5-4-13(18)9-15(16)19/h4-9,12H,1-3H3,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide?
(2R)-2-(2,4-dibromophenoxy)-N-(3,5-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 (2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 1019999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).