4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide

C21H19FN2O4 — CID 17487756

IUPAC4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H19FN2O4/c1-24(14-20(25)23-13-19-3-2-12-27-19)21(26)15-4-8-17(9-5-15)28-18-10-6-16(22)7-11-18/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeySDLZCPHTIDGOOA-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.60
Rot. Bonds7

About 4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide

4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 17487756) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID17487756
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H19FN2O4/c1-24(14-20(25)23-13-19-3-2-12-27-19)21(26)15-4-8-17(9-5-15)28-18-10-6-16(22)7-11-18/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeySDLZCPHTIDGOOA-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide
CID 7382374
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,4-dimethyl-3-nitrobenzamide
CID 34736405
[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8508141
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide
CID 110298073
3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 17425443
N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222820
(2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide
CID 34737309
2-[[N-[(4-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111307329
N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 3206990
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 24638833

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide (CID 17487756) is 4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)NCc1ccco1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is SDLZCPHTIDGOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-24(14-20(25)23-13-19-3-2-12-27-19)21(26)15-4-8-17(9-5-15)28-18-10-6-16(22)7-11-18/h2-12H,13-14H2,1H3,(H,23,25).
What are the key properties of 4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide?
4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 382.39 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 17487756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).