N-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide

C20H16F2N2O3 — CID 648900

IUPACN-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CN(C(=O)c1ccco1)c1cccc(F)c1)NCc1ccc(F)cc1
InChIInChI=1S/C20H16F2N2O3/c21-15-8-6-14(7-9-15)12-23-19(25)13-24(17-4-1-3-16(22)11-17)20(26)18-5-2-10-27-18/h1-11H,12-13H2,(H,23,25)
InChIKeyPUPOXQZUGXOBST-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.52
Rot. Bonds6

About N-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide

N-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 648900) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID648900
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC NameN-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CN(C(=O)c1ccco1)c1cccc(F)c1)NCc1ccc(F)cc1
InChIInChI=1S/C20H16F2N2O3/c21-15-8-6-14(7-9-15)12-23-19(25)13-24(17-4-1-3-16(22)11-17)20(26)18-5-2-10-27-18/h1-11H,12-13H2,(H,23,25)
InChIKeyPUPOXQZUGXOBST-UHFFFAOYSA-N
XLogP3.52
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide (CID 648900) is N-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide is O=C(CN(C(=O)c1ccco1)c1cccc(F)c1)NCc1ccc(F)cc1.
What is the InChIKey of N-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is PUPOXQZUGXOBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c21-15-8-6-14(7-9-15)12-23-19(25)13-24(17-4-1-3-16(22)11-17)20(26)18-5-2-10-27-18/h1-11H,12-13H2,(H,23,25).
What are the key properties of N-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
N-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 648900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).