[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

C20H20FNO3 — CID 8641781

IUPAC[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CC1)NCCc1ccccc1F
InChIInChI=1S/C20H20FNO3/c21-17-9-5-4-6-15(17)10-13-22-18(23)14-25-19(24)20(11-12-20)16-7-2-1-3-8-16/h1-9H,10-14H2,(H,22,23)
InChIKeyYBZOXRVGJYNIQG-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.76
Rot. Bonds7

About [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (PubChem CID 8641781) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
PubChem CID8641781
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CC1)NCCc1ccccc1F
InChIInChI=1S/C20H20FNO3/c21-17-9-5-4-6-15(17)10-13-22-18(23)14-25-19(24)20(11-12-20)16-7-2-1-3-8-16/h1-9H,10-14H2,(H,22,23)
InChIKeyYBZOXRVGJYNIQG-UHFFFAOYSA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 8610838
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[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
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2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
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1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
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[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8807699
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 65463974
[2-(4-chloroanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588474
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 60867022
[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 1-phenylcyclobutane-1-carboxylate
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N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
CID 24519995

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (CID 8641781) is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2)CC1)NCCc1ccccc1F.
What is the InChIKey of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The InChIKey is YBZOXRVGJYNIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c21-17-9-5-4-6-15(17)10-13-22-18(23)14-25-19(24)20(11-12-20)16-7-2-1-3-8-16/h1-9H,10-14H2,(H,22,23).
What are the key properties of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate has a molecular weight of 341.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 8641781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).