[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

C14H16ClNO3 — CID 2999315

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H16ClNO3/c1-9-6-11(9)14(18)19-8-13(17)16-7-10-4-2-3-5-12(10)15/h2-5,9,11H,6-8H2,1H3,(H,16,17)
InChIKeyQCCMTQSZOXYXKH-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.16
Rot. Bonds5

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (PubChem CID 2999315) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
PubChem CID2999315
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H16ClNO3/c1-9-6-11(9)14(18)19-8-13(17)16-7-10-4-2-3-5-12(10)15/h2-5,9,11H,6-8H2,1H3,(H,16,17)
InChIKeyQCCMTQSZOXYXKH-UHFFFAOYSA-N
XLogP2.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (CID 2999315) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is CC1CC1C(=O)OCC(=O)NCc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The InChIKey is QCCMTQSZOXYXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-9-6-11(9)14(18)19-8-13(17)16-7-10-4-2-3-5-12(10)15/h2-5,9,11H,6-8H2,1H3,(H,16,17).
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate has a molecular weight of 281.74 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 2999315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).