[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

C15H18ClNO4 — CID 3419297

IUPAC[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)C1CC1C
InChIInChI=1S/C15H18ClNO4/c1-8-4-10(8)15(19)21-7-14(18)17-12-5-9(2)11(16)6-13(12)20-3/h5-6,8,10H,4,7H2,1-3H3,(H,17,18)
InChIKeyAIZOKUJYZRTQTE-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.79
Rot. Bonds5

About [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (PubChem CID 3419297) has the molecular formula C15H18ClNO4 and a molecular weight of 311.77 g/mol. Its IUPAC name is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
PubChem CID3419297
Molecular FormulaC15H18ClNO4
Molecular Weight311.77 g/mol
Exact Mass311.09
IUPAC Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)C1CC1C
InChIInChI=1S/C15H18ClNO4/c1-8-4-10(8)15(19)21-7-14(18)17-12-5-9(2)11(16)6-13(12)20-3/h5-6,8,10H,4,7H2,1-3H3,(H,17,18)
InChIKeyAIZOKUJYZRTQTE-UHFFFAOYSA-N
XLogP2.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (CID 3419297) is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C1CC1C.
What is the InChIKey of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The InChIKey is AIZOKUJYZRTQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-8-4-10(8)15(19)21-7-14(18)17-12-5-9(2)11(16)6-13(12)20-3/h5-6,8,10H,4,7H2,1-3H3,(H,17,18).
What are the key properties of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate has a molecular weight of 311.77 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 3419297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).