[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate

C21H23FN2O5 — CID 7814837

IUPAC[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C21H23FN2O5/c1-14-4-9-18(15(2)10-14)28-13-21(27)29-12-20(26)24(3)11-19(25)23-17-7-5-16(22)6-8-17/h4-10H,11-13H2,1-3H3,(H,23,25)
InChIKeyVBRRVBKHBZDUCR-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.46
Rot. Bonds8

About [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate

[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate (PubChem CID 7814837) has the molecular formula C21H23FN2O5 and a molecular weight of 402.42 g/mol. Its IUPAC name is [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
PubChem CID7814837
Molecular FormulaC21H23FN2O5
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C21H23FN2O5/c1-14-4-9-18(15(2)10-14)28-13-21(27)29-12-20(26)24(3)11-19(25)23-17-7-5-16(22)6-8-17/h4-10H,11-13H2,1-3H3,(H,23,25)
InChIKeyVBRRVBKHBZDUCR-UHFFFAOYSA-N
XLogP2.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate with MolForge

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Related Compounds

2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9440975
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438434
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273946
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489236
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 7749435
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814070
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 16528394
2-[[2-(4-chloro-2-methylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8501359
N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide
CID 7467659
2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 63322519
methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 894367
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863239

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate (CID 7814837) is [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The canonical SMILES for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate is Cc1ccc(OCC(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c(C)c1.
What is the InChIKey of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The InChIKey is VBRRVBKHBZDUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O5/c1-14-4-9-18(15(2)10-14)28-13-21(27)29-12-20(26)24(3)11-19(25)23-17-7-5-16(22)6-8-17/h4-10H,11-13H2,1-3H3,(H,23,25).
What are the key properties of [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate has a molecular weight of 402.42 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate is sourced from PubChem (CID 7814837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).