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

C14H15Cl2NO3 — CID 7717266

IUPAC[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-11-5-4-10(12(16)6-11)7-17-13(18)8-20-14(19)9-2-1-3-9/h4-6,9H,1-3,7-8H2,(H,17,18)
InChIKeyQOQXACWQVLQORJ-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.95
Rot. Bonds5

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

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 7717266) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
PubChem CID7717266
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-11-5-4-10(12(16)6-11)7-17-13(18)8-20-14(19)9-2-1-3-9/h4-6,9H,1-3,7-8H2,(H,17,18)
InChIKeyQOQXACWQVLQORJ-UHFFFAOYSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorobenzyl)tetrahydro-2-furancarboxamide
CID 2932408
N-[(2-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2957283
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate
CID 4962992
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2514531
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 4235031
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 4336514
[2-(Benzylamino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717405
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2100301
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 2-methylpropanoate
CID 2112567
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate
CID 2371650
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 2434372
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] cyclohexanecarboxylate
CID 4072806

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate (CID 7717266) is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate is O=C(COC(=O)C1CCC1)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is QOQXACWQVLQORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-11-5-4-10(12(16)6-11)7-17-13(18)8-20-14(19)9-2-1-3-9/h4-6,9H,1-3,7-8H2,(H,17,18).
What are the key properties of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate?
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 316.18 g/mol, XLogP of 2.95, 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] cyclobutanecarboxylate is sourced from PubChem (CID 7717266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).