[2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate

C20H19ClN2O4 — CID 8589110

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H19ClN2O4/c1-13(24)22-16-3-2-4-17(11-16)23-18(25)12-27-19(26)20(9-10-20)14-5-7-15(21)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyFCZBBBKJVZZGRB-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.51
Rot. Bonds6

About [2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate

[2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 8589110) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID8589110
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H19ClN2O4/c1-13(24)22-16-3-2-4-17(11-16)23-18(25)12-27-19(26)20(9-10-20)14-5-7-15(21)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyFCZBBBKJVZZGRB-UHFFFAOYSA-N
XLogP3.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588474
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589028
[2-(2,6-diethylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2353652
[2-(4-chloroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2336023
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589533
[2-(3-methoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866395
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8642070
[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722951
[2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588587
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840800
[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566919

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate (CID 8589110) is [2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate is CC(=O)Nc1cccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is FCZBBBKJVZZGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-13(24)22-16-3-2-4-17(11-16)23-18(25)12-27-19(26)20(9-10-20)14-5-7-15(21)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
[2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 386.84 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 8589110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).