N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide

C20H17ClFNO2 — CID 57328484

IUPACN-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCc2ccc(Cl)cc2)C(c2ccc(F)cc2)OC1
InChIInChI=1S/C20H17ClFNO2/c1-2-14-12-25-19(15-5-9-17(22)10-6-15)18(14)20(24)23-11-13-3-7-16(21)8-4-13/h2-10,19H,1,11-12H2,(H,23,24)
InChIKeyRXWPJWQXXUNTDI-UHFFFAOYSA-N
MW357.81 g/mol
LogP4.35
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide

N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide (PubChem CID 57328484) has the molecular formula C20H17ClFNO2 and a molecular weight of 357.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
PubChem CID57328484
Molecular FormulaC20H17ClFNO2
Molecular Weight357.81 g/mol
Exact Mass357.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCc2ccc(Cl)cc2)C(c2ccc(F)cc2)OC1
InChIInChI=1S/C20H17ClFNO2/c1-2-14-12-25-19(15-5-9-17(22)10-6-15)18(14)20(24)23-11-13-3-7-16(21)8-4-13/h2-10,19H,1,11-12H2,(H,23,24)
InChIKeyRXWPJWQXXUNTDI-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide (CID 57328484) is N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide is C=CC1=C(C(=O)NCc2ccc(Cl)cc2)C(c2ccc(F)cc2)OC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide?
The InChIKey is RXWPJWQXXUNTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO2/c1-2-14-12-25-19(15-5-9-17(22)10-6-15)18(14)20(24)23-11-13-3-7-16(21)8-4-13/h2-10,19H,1,11-12H2,(H,23,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide?
N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide has a molecular weight of 357.81 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide is sourced from PubChem (CID 57328484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).