ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate

C16H20FNO3 — CID 61013046

IUPACethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FNO3/c1-3-18(11-14(19)21-4-2)15(20)16(9-10-16)12-5-7-13(17)8-6-12/h5-8H,3-4,9-11H2,1-2H3
InChIKeyGXXOGPSWCOBHBV-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.27
Rot. Bonds6

About ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate

ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate (PubChem CID 61013046) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate
PubChem CID61013046
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Nameethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FNO3/c1-3-18(11-14(19)21-4-2)15(20)16(9-10-16)12-5-7-13(17)8-6-12/h5-8H,3-4,9-11H2,1-2H3
InChIKeyGXXOGPSWCOBHBV-UHFFFAOYSA-N
XLogP2.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
CID 115913375
ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate
CID 56520620
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide
CID 55874805
ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate
CID 61073584
1-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 60653694
ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133
butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 112725171
ethyl 2-[5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 144617375
1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide
CID 112558429
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 110484027
bis[1-(4-fluorophenyl)cyclopropyl]methanone
CID 68859453

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate (CID 61013046) is ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate is CCOC(=O)CN(CC)C(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate?
The InChIKey is GXXOGPSWCOBHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-3-18(11-14(19)21-4-2)15(20)16(9-10-16)12-5-7-13(17)8-6-12/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate?
ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate has a molecular weight of 293.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate is sourced from PubChem (CID 61013046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).