2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide

C17H17FN2O3 — CID 51292308

IUPAC2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESO=C(CNC(=O)C1CC1c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C17H17FN2O3/c18-12-5-3-11(4-6-12)14-8-15(14)17(22)20-10-16(21)19-9-13-2-1-7-23-13/h1-7,14-15H,8-10H2,(H,19,21)(H,20,22)
InChIKeyDARJWJPVMFIVMG-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.95
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide

2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide (PubChem CID 51292308) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
PubChem CID51292308
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESO=C(CNC(=O)C1CC1c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C17H17FN2O3/c18-12-5-3-11(4-6-12)14-8-15(14)17(22)20-10-16(21)19-9-13-2-1-7-23-13/h1-7,14-15H,8-10H2,(H,19,21)(H,20,22)
InChIKeyDARJWJPVMFIVMG-UHFFFAOYSA-N
XLogP1.95
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 51291702
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47128746
1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 24625238
2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 128972858
2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 55476541
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 51565539
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080896
N-(furan-2-ylmethyl)acetamide
CID 2394850
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 79607925
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide
CID 110298073

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide (CID 51292308) is 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide is O=C(CNC(=O)C1CC1c1ccc(F)cc1)NCc1ccco1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide?
The InChIKey is DARJWJPVMFIVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c18-12-5-3-11(4-6-12)14-8-15(14)17(22)20-10-16(21)19-9-13-2-1-7-23-13/h1-7,14-15H,8-10H2,(H,19,21)(H,20,22).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide?
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 51292308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).