[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate

C20H21ClN2O7 — CID 41279847

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1NC(C)=O
InChIInChI=1S/C20H21ClN2O7/c1-11(24)22-14-9-18(29-4)17(28-3)8-13(14)20(26)30-10-19(25)23-15-7-12(21)5-6-16(15)27-2/h5-9H,10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRAAFCMFXMRZSLV-UHFFFAOYSA-N
MW436.85 g/mol
LogP3.12
Rot. Bonds8

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate (PubChem CID 41279847) has the molecular formula C20H21ClN2O7 and a molecular weight of 436.85 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
PubChem CID41279847
Molecular FormulaC20H21ClN2O7
Molecular Weight436.85 g/mol
Exact Mass436.10
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1NC(C)=O
InChIInChI=1S/C20H21ClN2O7/c1-11(24)22-14-9-18(29-4)17(28-3)8-13(14)20(26)30-10-19(25)23-15-7-12(21)5-6-16(15)27-2/h5-9H,10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRAAFCMFXMRZSLV-UHFFFAOYSA-N
XLogP3.12
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.85
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 41279748
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-bromobenzoate
CID 2624069
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823508
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate
CID 8627342
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 2567217
[2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2615045
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538476
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8906394
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582401
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8610264
[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 42235707
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2592675

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate (CID 41279847) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate is COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1NC(C)=O.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate?
The InChIKey is RAAFCMFXMRZSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O7/c1-11(24)22-14-9-18(29-4)17(28-3)8-13(14)20(26)30-10-19(25)23-15-7-12(21)5-6-16(15)27-2/h5-9H,10H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate has a molecular weight of 436.85 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate is sourced from PubChem (CID 41279847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).