3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide

C22H20FN3O2 — CID 134805349

IUPAC3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ncc(-c3cccc(F)c3)c3c2OCC3)c1
InChIInChI=1S/C22H20FN3O2/c1-26(2)17-8-4-6-15(12-17)22(27)25-21-20-18(9-10-28-20)19(13-24-21)14-5-3-7-16(23)11-14/h3-8,11-13H,9-10H2,1-2H3,(H,24,25,27)
InChIKeyWLVKIFLPDMANBF-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.14
Rot. Bonds4

About 3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide

3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide (PubChem CID 134805349) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide
PubChem CID134805349
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ncc(-c3cccc(F)c3)c3c2OCC3)c1
InChIInChI=1S/C22H20FN3O2/c1-26(2)17-8-4-6-15(12-17)22(27)25-21-20-18(9-10-28-20)19(13-24-21)14-5-3-7-16(23)11-14/h3-8,11-13H,9-10H2,1-2H3,(H,24,25,27)
InChIKeyWLVKIFLPDMANBF-UHFFFAOYSA-N
XLogP4.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide (CID 134805349) is 3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide is CN(C)c1cccc(C(=O)Nc2ncc(-c3cccc(F)c3)c3c2OCC3)c1.
What is the InChIKey of 3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide?
The InChIKey is WLVKIFLPDMANBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-26(2)17-8-4-6-15(12-17)22(27)25-21-20-18(9-10-28-20)19(13-24-21)14-5-3-7-16(23)11-14/h3-8,11-13H,9-10H2,1-2H3,(H,24,25,27).
What are the key properties of 3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide?
3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide has a molecular weight of 377.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide is sourced from PubChem (CID 134805349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).