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

C20H19FN2O3 — CID 138533560

IUPAC(3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cc2c1OC[C@@H]2c1cccc(F)c1
InChIInChI=1S/C20H19FN2O3/c1-22-20(25)16-9-12(19(24)23-14-5-6-14)8-15-17(10-26-18(15)16)11-3-2-4-13(21)7-11/h2-4,7-9,14,17H,5-6,10H2,1H3,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKeyGBIZDVRRLALZAJ-QGZVFWFLSA-N
MW354.38 g/mol
LogP2.60
Rot. Bonds4

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

(3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (PubChem CID 138533560) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is (3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.

Molecular Properties

Compound Name(3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
PubChem CID138533560
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name(3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cc2c1OC[C@@H]2c1cccc(F)c1
InChIInChI=1S/C20H19FN2O3/c1-22-20(25)16-9-12(19(24)23-14-5-6-14)8-15-17(10-26-18(15)16)11-3-2-4-13(21)7-11/h2-4,7-9,14,17H,5-6,10H2,1H3,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKeyGBIZDVRRLALZAJ-QGZVFWFLSA-N
XLogP2.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 175707388
7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 155119561
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
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
(2S)-5-N-cyclopropyl-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 146320740
5-N-cyclopropyl-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 131987146
(2S,3S)-5-N-cyclopropyl-2-(hydroxymethyl)-7-N-methyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 131987230
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
5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 167148345
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
5-N-cyclopropyl-3-(hydroxymethyl)-7-N-methyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
CID 138534030
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

Frequently Asked Questions

What is the IUPAC name of (3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The IUPAC name of (3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (CID 138533560) is (3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.
What is the SMILES notation for (3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The canonical SMILES for (3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)cc2c1OC[C@@H]2c1cccc(F)c1.
What is the InChIKey of (3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The InChIKey is GBIZDVRRLALZAJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-22-20(25)16-9-12(19(24)23-14-5-6-14)8-15-17(10-26-18(15)16)11-3-2-4-13(21)7-11/h2-4,7-9,14,17H,5-6,10H2,1H3,(H,22,25)(H,23,24)/t17-/m1/s1.
What are the key properties of (3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
(3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is sourced from PubChem (CID 138533560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).