[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate

C20H20ClFN2O5 — CID 17261210

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H20ClFN2O5/c1-28-17-10-5-13(21)11-16(17)24-19(26)12-29-20(27)4-2-3-18(25)23-15-8-6-14(22)7-9-15/h5-11H,2-4,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyMZLBPOPELPVQPJ-UHFFFAOYSA-N
MW422.84 g/mol
LogP3.78
Rot. Bonds9

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate (PubChem CID 17261210) has the molecular formula C20H20ClFN2O5 and a molecular weight of 422.84 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate
PubChem CID17261210
Molecular FormulaC20H20ClFN2O5
Molecular Weight422.84 g/mol
Exact Mass422.10
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H20ClFN2O5/c1-28-17-10-5-13(21)11-16(17)24-19(26)12-29-20(27)4-2-3-18(25)23-15-8-6-14(22)7-9-15/h5-11H,2-4,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyMZLBPOPELPVQPJ-UHFFFAOYSA-N
XLogP3.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate
CID 30800459
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate
CID 8627342
pentyl 5-(5-chloro-2-methoxyanilino)-5-oxopentanoate
CID 91722639
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide
CID 7666973
[2-(3-acetylanilino)-2-oxoethyl] 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 17260747
nonyl 5-(5-chloro-2-methoxyanilino)-5-oxopentanoate
CID 91722643
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823508
[2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 17259335
5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide
CID 103601683
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate
CID 17261560

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate (CID 17261210) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate is COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate?
The InChIKey is MZLBPOPELPVQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O5/c1-28-17-10-5-13(21)11-16(17)24-19(26)12-29-20(27)4-2-3-18(25)23-15-8-6-14(22)7-9-15/h5-11H,2-4,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate has a molecular weight of 422.84 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate is sourced from PubChem (CID 17261210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).