3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide

C17H15FN2O3 — CID 175707388

IUPAC3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(N)=O)cc2c1OCC2c1cccc(F)c1
InChIInChI=1S/C17H15FN2O3/c1-20-17(22)13-7-10(16(19)21)6-12-14(8-23-15(12)13)9-3-2-4-11(18)5-9/h2-7,14H,8H2,1H3,(H2,19,21)(H,20,22)
InChIKeyJWSKZPYUUPVYAT-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.81
Rot. Bonds3

About 3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide

3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (PubChem CID 175707388) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
PubChem CID175707388
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(N)=O)cc2c1OCC2c1cccc(F)c1
InChIInChI=1S/C17H15FN2O3/c1-20-17(22)13-7-10(16(19)21)6-12-14(8-23-15(12)13)9-3-2-4-11(18)5-9/h2-7,14H,8H2,1H3,(H2,19,21)(H,20,22)
InChIKeyJWSKZPYUUPVYAT-UHFFFAOYSA-N
XLogP1.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 138533560
5-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-7-N-methyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 167148403
3-(3-cyanophenyl)-7-N-methyl-5-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 155119656
3-(1H-indol-4-yl)-7-(methylcarbamoyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 138523726
7-N-methyl-3-(1-methylindol-4-yl)-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 155099727
3-[1-(2-hydroxyethyl)indol-4-yl]-7-N-methyl-5-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 138533556
2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 175749947
4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide
CID 43633216
ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide
CID 145062937
2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide
CID 140712163
4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid
CID 119054767
(2S,3S)-5-N-cyclopropyl-2-(hydroxymethyl)-7-N-methyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 131987230

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The IUPAC name of 3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (CID 175707388) is 3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is CNC(=O)c1cc(C(N)=O)cc2c1OCC2c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The InChIKey is JWSKZPYUUPVYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-20-17(22)13-7-10(16(19)21)6-12-14(8-23-15(12)13)9-3-2-4-11(18)5-9/h2-7,14H,8H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide has a molecular weight of 314.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is sourced from PubChem (CID 175707388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).