1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide

C20H17FN2O3 — CID 109053947

IUPAC1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccco1)c1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C20H17FN2O3/c21-18-9-2-1-5-16(18)12-22-19(24)14-6-3-7-15(11-14)20(25)23-13-17-8-4-10-26-17/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyCUXWRNRGQKJOCT-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.28
Rot. Bonds6

About 1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide

1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109053947) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109053947
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccco1)c1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C20H17FN2O3/c21-18-9-2-1-5-16(18)12-22-19(24)14-6-3-7-15(11-14)20(25)23-13-17-8-4-10-26-17/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyCUXWRNRGQKJOCT-UHFFFAOYSA-N
XLogP3.28
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
2-N-[(2-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085013
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104852
4-[(2-fluorophenyl)methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060490
3-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 137367601
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
2-N-[2-(2-fluorophenyl)ethyl]-6-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097096
3-[[2-(2-fluoroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54818535
5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231307
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide (CID 109053947) is 1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide is O=C(NCc1ccco1)c1cccc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is CUXWRNRGQKJOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-18-9-2-1-5-16(18)12-22-19(24)14-6-3-7-15(11-14)20(25)23-13-17-8-4-10-26-17/h1-11H,12-13H2,(H,22,24)(H,23,25).
What are the key properties of 1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).