2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide

C17H18BrNO4 — CID 2954018

IUPAC2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Oc2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrNO4/c1-11(23-13-6-4-12(18)5-7-13)17(20)19-15-10-14(21-2)8-9-16(15)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyXLDYGCLERHSBCI-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.87
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide

2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide (PubChem CID 2954018) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
PubChem CID2954018
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC Name2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Oc2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrNO4/c1-11(23-13-6-4-12(18)5-7-13)17(20)19-15-10-14(21-2)8-9-16(15)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyXLDYGCLERHSBCI-UHFFFAOYSA-N
XLogP3.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-phenoxyacetamide
CID 819750
2-(2-bromophenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 8083800
N-(2,5-dimethoxyphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide
CID 20881633
N-(2,5-dimethoxyphenyl)-2-methoxyacetamide
CID 532085
2-(2,4-dibromophenoxy)-N-(3-hydroxyphenyl)acetamide
CID 981216
N-(4-bromophenyl)-2-phenoxyacetamide
CID 302755
N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide
CID 648903
2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 868087
2-(3-acetamidophenoxy)-N-phenylacetamide
CID 898263
3-(Acetylamino)phenyl (4-bromophenoxy)acetate
CID 1002529
2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 1047680
2-(4-bromo-3-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1101334

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide (CID 2954018) is 2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(NC(=O)C(C)Oc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is XLDYGCLERHSBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4/c1-11(23-13-6-4-12(18)5-7-13)17(20)19-15-10-14(21-2)8-9-16(15)22-3/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 380.24 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 2954018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).