2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide

C19H22BrNO2 — CID 55523747

IUPAC2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)C(C)Oc1ccc(C)cc1Br
InChIInChI=1S/C19H22BrNO2/c1-5-15-8-6-7-13(3)18(15)21-19(22)14(4)23-17-10-9-12(2)11-16(17)20/h6-11,14H,5H2,1-4H3,(H,21,22)
InChIKeyPRMFJWVHVPDZTN-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.03
Rot. Bonds5

About 2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide

2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 55523747) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID55523747
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)C(C)Oc1ccc(C)cc1Br
InChIInChI=1S/C19H22BrNO2/c1-5-15-8-6-7-13(3)18(15)21-19(22)14(4)23-17-10-9-12(2)11-16(17)20/h6-11,14H,5H2,1-4H3,(H,21,22)
InChIKeyPRMFJWVHVPDZTN-UHFFFAOYSA-N
XLogP5.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-bromo-4-chlorophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 40771361
2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51236277
(2R)-N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 2576276
N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 4877561
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78888618
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 82027609
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide
CID 55778334
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
(2R)-N-(2-ethyl-6-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100682201

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide (CID 55523747) is 2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)C(C)Oc1ccc(C)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is PRMFJWVHVPDZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-5-15-8-6-7-13(3)18(15)21-19(22)14(4)23-17-10-9-12(2)11-16(17)20/h6-11,14H,5H2,1-4H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 376.29 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 55523747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).