ethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate

C14H17FN2O3 — CID 46933605

IUPACethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)NC)CC1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c1-3-20-12(18)14(17-13(19)16-2)8-11(14)9-4-6-10(15)7-5-9/h4-7,11H,3,8H2,1-2H3,(H2,16,17,19)
InChIKeySKVUQCSNSOXZJQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.54
Rot. Bonds4

About ethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate

ethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate (PubChem CID 46933605) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate
PubChem CID46933605
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Nameethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)NC)CC1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c1-3-20-12(18)14(17-13(19)16-2)8-11(14)9-4-6-10(15)7-5-9/h4-7,11H,3,8H2,1-2H3,(H2,16,17,19)
InChIKeySKVUQCSNSOXZJQ-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxycarbonyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 46935229
diethyl (3S,5S)-3-(4-fluorophenyl)-5-methylpyrrolidine-2,2-dicarboxylate
CID 132596185
cis-(1R,2R)-2-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 99989979
ethyl 3-(4-fluoroanilino)-2-methyloxolane-3-carboxylate
CID 82719419
ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 44541628
ethyl 3-(4-fluorophenyl)sulfanyl-1-(methylamino)cyclopentane-1-carboxylate
CID 79653771
ethyl 3-(4-fluoroanilino)-1-azabicyclo[2.2.2]octane-3-carboxylate
CID 60992355
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate
CID 59555492
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 650029
diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 6933747
ethyl 1-[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylate
CID 95932127

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate (CID 46933605) is ethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate is CCOC(=O)C1(NC(=O)NC)CC1c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate?
The InChIKey is SKVUQCSNSOXZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-3-20-12(18)14(17-13(19)16-2)8-11(14)9-4-6-10(15)7-5-9/h4-7,11H,3,8H2,1-2H3,(H2,16,17,19).
What are the key properties of ethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate?
ethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate has a molecular weight of 280.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-1-(methylcarbamoylamino)cyclopropane-1-carboxylate is sourced from PubChem (CID 46933605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).