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

C22H21FN2O4 — CID 1449918

IUPACN-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2ccco2)cc1
InChIInChI=1S/C22H21FN2O4/c1-2-28-19-11-9-18(10-12-19)25(22(27)20-4-3-13-29-20)15-21(26)24-14-16-5-7-17(23)8-6-16/h3-13H,2,14-15H2,1H3,(H,24,26)
InChIKeyAQFRNTBCSVZYJR-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.78
Rot. Bonds8

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

N-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 1449918) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID1449918
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC NameN-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2ccco2)cc1
InChIInChI=1S/C22H21FN2O4/c1-2-28-19-11-9-18(10-12-19)25(22(27)20-4-3-13-29-20)15-21(26)24-14-16-5-7-17(23)8-6-16/h3-13H,2,14-15H2,1H3,(H,24,26)
InChIKeyAQFRNTBCSVZYJR-UHFFFAOYSA-N
XLogP3.78
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide (CID 1449918) is N-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide is CCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2ccco2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is AQFRNTBCSVZYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4/c1-2-28-19-11-9-18(10-12-19)25(22(27)20-4-3-13-29-20)15-21(26)24-14-16-5-7-17(23)8-6-16/h3-13H,2,14-15H2,1H3,(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
N-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 1449918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).