N-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C17H18FNO2 — CID 56765574

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(CNC(=O)C2(c3ccc(F)cc3)CC2)c(C)o1
InChIInChI=1S/C17H18FNO2/c1-11-9-13(12(2)21-11)10-19-16(20)17(7-8-17)14-3-5-15(18)6-4-14/h3-6,9H,7-8,10H2,1-2H3,(H,19,20)
InChIKeyHFAHOQGUKSFDRE-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.38
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 56765574) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID56765574
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(CNC(=O)C2(c3ccc(F)cc3)CC2)c(C)o1
InChIInChI=1S/C17H18FNO2/c1-11-9-13(12(2)21-11)10-19-16(20)17(7-8-17)14-3-5-15(18)6-4-14/h3-6,9H,7-8,10H2,1-2H3,(H,19,20)
InChIKeyHFAHOQGUKSFDRE-UHFFFAOYSA-N
XLogP3.38
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 56765574) is N-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is Cc1cc(CNC(=O)C2(c3ccc(F)cc3)CC2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is HFAHOQGUKSFDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-9-13(12(2)21-11)10-19-16(20)17(7-8-17)14-3-5-15(18)6-4-14/h3-6,9H,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 287.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56765574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).