[2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate

C14H14ClNO4 — CID 2413968

IUPAC[2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO4/c15-11-6-4-9(5-7-11)13(18)16-12(17)8-20-14(19)10-2-1-3-10/h4-7,10H,1-3,8H2,(H,16,17,18)
InChIKeySXBYECYFHXSXSC-UHFFFAOYSA-N
MW295.72 g/mol
LogP1.94
Rot. Bonds4

About [2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate

[2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 2413968) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is [2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate
PubChem CID2413968
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name[2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate
SMILESO=C(COC(=O)C1CCC1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO4/c15-11-6-4-9(5-7-11)13(18)16-12(17)8-20-14(19)10-2-1-3-10/h4-7,10H,1-3,8H2,(H,16,17,18)
InChIKeySXBYECYFHXSXSC-UHFFFAOYSA-N
XLogP1.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate (CID 2413968) is [2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate is O=C(COC(=O)C1CCC1)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is SXBYECYFHXSXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c15-11-6-4-9(5-7-11)13(18)16-12(17)8-20-14(19)10-2-1-3-10/h4-7,10H,1-3,8H2,(H,16,17,18).
What are the key properties of [2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate?
[2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 295.72 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorobenzoyl)amino]-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 2413968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).