N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide

C16H16FNO3 — CID 86851939

IUPACN-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC2c2ccco2)cc1F
InChIInChI=1S/C16H16FNO3/c1-2-20-15-6-5-10(8-13(15)17)18-16(19)12-9-11(12)14-4-3-7-21-14/h3-8,11-12H,2,9H2,1H3,(H,18,19)
InChIKeyLOHKSKGJAUQBRO-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.56
Rot. Bonds5

About N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide

N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 86851939) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID86851939
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC2c2ccco2)cc1F
InChIInChI=1S/C16H16FNO3/c1-2-20-15-6-5-10(8-13(15)17)18-16(19)12-9-11(12)14-4-3-7-21-14/h3-8,11-12H,2,9H2,1H3,(H,18,19)
InChIKeyLOHKSKGJAUQBRO-UHFFFAOYSA-N
XLogP3.56
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 86851939) is N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide is CCOc1ccc(NC(=O)C2CC2c2ccco2)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is LOHKSKGJAUQBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-2-20-15-6-5-10(8-13(15)17)18-16(19)12-9-11(12)14-4-3-7-21-14/h3-8,11-12H,2,9H2,1H3,(H,18,19).
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86851939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).