[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate

C21H20ClNO4 — CID 9107006

IUPAC[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(Cl)cc2)CCC1)NC(=O)Cc1ccccc1
InChIInChI=1S/C21H20ClNO4/c22-17-9-7-16(8-10-17)21(11-4-12-21)20(26)27-14-19(25)23-18(24)13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,23,24,25)
InChIKeyWEEPTOHCKJFOBN-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.19
Rot. Bonds6

About [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate

[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate (PubChem CID 9107006) has the molecular formula C21H20ClNO4 and a molecular weight of 385.85 g/mol. Its IUPAC name is [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate
PubChem CID9107006
Molecular FormulaC21H20ClNO4
Molecular Weight385.85 g/mol
Exact Mass385.11
IUPAC Name[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(Cl)cc2)CCC1)NC(=O)Cc1ccccc1
InChIInChI=1S/C21H20ClNO4/c22-17-9-7-16(8-10-17)21(11-4-12-21)20(26)27-14-19(25)23-18(24)13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,23,24,25)
InChIKeyWEEPTOHCKJFOBN-UHFFFAOYSA-N
XLogP3.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenacyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55312475
[2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566951
[2-(4-chloroanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588474
[2-(2,6-diethylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2353652
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2353566
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566919
[2-(4-chloroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2336023
[2-(2-methylsulfanylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589580
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7811663
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589533
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7996261

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate?
The IUPAC name of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate (CID 9107006) is [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate is O=C(COC(=O)C1(c2ccc(Cl)cc2)CCC1)NC(=O)Cc1ccccc1.
What is the InChIKey of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate?
The InChIKey is WEEPTOHCKJFOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO4/c22-17-9-7-16(8-10-17)21(11-4-12-21)20(26)27-14-19(25)23-18(24)13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,23,24,25).
What are the key properties of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate?
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate has a molecular weight of 385.85 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 9107006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).