(2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C20H16FNO3 — CID 52534875

IUPAC(2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C([C@H]1Cc2ccccc2O1)N(Cc1ccco1)c1cccc(F)c1
InChIInChI=1S/C20H16FNO3/c21-15-6-3-7-16(12-15)22(13-17-8-4-10-24-17)20(23)19-11-14-5-1-2-9-18(14)25-19/h1-10,12,19H,11,13H2/t19-/m1/s1
InChIKeyNEZJHSGAUOKUHD-LJQANCHMSA-N
MW337.35 g/mol
LogP3.96
Rot. Bonds4

About (2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 52534875) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is (2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID52534875
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name(2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C([C@H]1Cc2ccccc2O1)N(Cc1ccco1)c1cccc(F)c1
InChIInChI=1S/C20H16FNO3/c21-15-6-3-7-16(12-15)22(13-17-8-4-10-24-17)20(23)19-11-14-5-1-2-9-18(14)25-19/h1-10,12,19H,11,13H2/t19-/m1/s1
InChIKeyNEZJHSGAUOKUHD-LJQANCHMSA-N
XLogP3.96
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 52534875) is (2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C([C@H]1Cc2ccccc2O1)N(Cc1ccco1)c1cccc(F)c1.
What is the InChIKey of (2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is NEZJHSGAUOKUHD-LJQANCHMSA-N. The full InChI is InChI=1S/C20H16FNO3/c21-15-6-3-7-16(12-15)22(13-17-8-4-10-24-17)20(23)19-11-14-5-1-2-9-18(14)25-19/h1-10,12,19H,11,13H2/t19-/m1/s1.
What are the key properties of (2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 52534875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).