[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate

C13H13Cl2NO3 — CID 2510934

IUPAC[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2NO3/c14-10-4-3-9(11(15)5-10)6-16-12(17)7-19-13(18)8-1-2-8/h3-5,8H,1-2,6-7H2,(H,16,17)
InChIKeyGZTVZVILQFJJED-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.56
Rot. Bonds5

About [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2510934) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2510934
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2NO3/c14-10-4-3-9(11(15)5-10)6-16-12(17)7-19-13(18)8-1-2-8/h3-5,8H,1-2,6-7H2,(H,16,17)
InChIKeyGZTVZVILQFJJED-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate (CID 2510934) is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is GZTVZVILQFJJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c14-10-4-3-9(11(15)5-10)6-16-12(17)7-19-13(18)8-1-2-8/h3-5,8H,1-2,6-7H2,(H,16,17).
What are the key properties of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 302.16 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2510934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).