2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide

C21H24BrFN2O5 — CID 31185812

IUPAC2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)COc2ccc(F)cc2Br)cc1OCC
InChIInChI=1S/C21H24BrFN2O5/c1-4-28-18-9-7-15(11-19(18)29-5-2)24-20(26)12-25(3)21(27)13-30-17-8-6-14(23)10-16(17)22/h6-11H,4-5,12-13H2,1-3H3,(H,24,26)
InChIKeyCRAVZTWVDWGFDM-UHFFFAOYSA-N
MW483.33 g/mol
LogP3.86
Rot. Bonds10

About 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide (PubChem CID 31185812) has the molecular formula C21H24BrFN2O5 and a molecular weight of 483.33 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
PubChem CID31185812
Molecular FormulaC21H24BrFN2O5
Molecular Weight483.33 g/mol
Exact Mass482.09
IUPAC Name2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)COc2ccc(F)cc2Br)cc1OCC
InChIInChI=1S/C21H24BrFN2O5/c1-4-28-18-9-7-15(11-19(18)29-5-2)24-20(26)12-25(3)21(27)13-30-17-8-6-14(23)10-16(17)22/h6-11H,4-5,12-13H2,1-3H3,(H,24,26)
InChIKeyCRAVZTWVDWGFDM-UHFFFAOYSA-N
XLogP3.86
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid
CID 43239764
2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2475779
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
CID 43007494
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9440975
(E)-3-(3,4-diethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9440936
N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658514
4-(4-bromophenoxy)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbutanamide
CID 24982397
N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
CID 46534955
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide
CID 30808188
ethyl 4-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzoate
CID 2627574
4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 7719430
2-(2-bromo-4-fluorophenoxy)-N-(3-hydroxy-4-methoxyphenyl)acetamide
CID 7478739

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide (CID 31185812) is 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(C)C(=O)COc2ccc(F)cc2Br)cc1OCC.
What is the InChIKey of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
The InChIKey is CRAVZTWVDWGFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrFN2O5/c1-4-28-18-9-7-15(11-19(18)29-5-2)24-20(26)12-25(3)21(27)13-30-17-8-6-14(23)10-16(17)22/h6-11H,4-5,12-13H2,1-3H3,(H,24,26).
What are the key properties of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide has a molecular weight of 483.33 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide is sourced from PubChem (CID 31185812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).