N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide

C21H19FN2O4 — CID 3210636

IUPACN-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2ccco2)cc1
InChIInChI=1S/C21H19FN2O4/c1-27-18-10-8-17(9-11-18)24(21(26)19-3-2-12-28-19)14-20(25)23-13-15-4-6-16(22)7-5-15/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyJUXXITVVUOIAPG-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.39
Rot. Bonds7

About N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide

N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide (PubChem CID 3210636) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
PubChem CID3210636
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2ccco2)cc1
InChIInChI=1S/C21H19FN2O4/c1-27-18-10-8-17(9-11-18)24(21(26)19-3-2-12-28-19)14-20(25)23-13-15-4-6-16(22)7-5-15/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyJUXXITVVUOIAPG-UHFFFAOYSA-N
XLogP3.39
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide (CID 3210636) is N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide is COc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The InChIKey is JUXXITVVUOIAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-27-18-10-8-17(9-11-18)24(21(26)19-3-2-12-28-19)14-20(25)23-13-15-4-6-16(22)7-5-15/h2-12H,13-14H2,1H3,(H,23,25).
What are the key properties of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 3210636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).