3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide

C17H16Br2FNO3 — CID 53267572

IUPAC3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide
SMILESCOc1cc(Br)c(CCC(=O)Nc2ccc(Br)cc2F)cc1OC
InChIInChI=1S/C17H16Br2FNO3/c1-23-15-7-10(12(19)9-16(15)24-2)3-6-17(22)21-14-5-4-11(18)8-13(14)20/h4-5,7-9H,3,6H2,1-2H3,(H,21,22)
InChIKeyCWRBMCBXGDIXMA-UHFFFAOYSA-N
MW461.13 g/mol
LogP4.94
Rot. Bonds6

About 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide

3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide (PubChem CID 53267572) has the molecular formula C17H16Br2FNO3 and a molecular weight of 461.13 g/mol. Its IUPAC name is 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide
PubChem CID53267572
Molecular FormulaC17H16Br2FNO3
Molecular Weight461.13 g/mol
Exact Mass458.95
IUPAC Name3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide
SMILESCOc1cc(Br)c(CCC(=O)Nc2ccc(Br)cc2F)cc1OC
InChIInChI=1S/C17H16Br2FNO3/c1-23-15-7-10(12(19)9-16(15)24-2)3-6-17(22)21-14-5-4-11(18)8-13(14)20/h4-5,7-9H,3,6H2,1-2H3,(H,21,22)
InChIKeyCWRBMCBXGDIXMA-UHFFFAOYSA-N
XLogP4.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.13
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-4,5-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 1406234
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide
CID 1406221
3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide
CID 1406311
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 1406214
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide
CID 1406231
N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide
CID 100760984
methyl 4-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]benzoate
CID 1406242
N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 43035639
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-butoxyphenyl)propanamide
CID 2071400
3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide
CID 56782937
N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
CID 2711543

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide?
The IUPAC name of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide (CID 53267572) is 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide?
The canonical SMILES for 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide is COc1cc(Br)c(CCC(=O)Nc2ccc(Br)cc2F)cc1OC.
What is the InChIKey of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide?
The InChIKey is CWRBMCBXGDIXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2FNO3/c1-23-15-7-10(12(19)9-16(15)24-2)3-6-17(22)21-14-5-4-11(18)8-13(14)20/h4-5,7-9H,3,6H2,1-2H3,(H,21,22).
What are the key properties of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide?
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide has a molecular weight of 461.13 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide is sourced from PubChem (CID 53267572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).