(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H17FN2O3 — CID 52535677

IUPAC(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C21H17FN2O3/c22-16-7-3-8-17(12-16)26-21-15(6-4-10-23-21)13-24-20(25)19-11-14-5-1-2-9-18(14)27-19/h1-10,12,19H,11,13H2,(H,24,25)/t19-/m1/s1
InChIKeyRSTQQMVIEGTMGO-LJQANCHMSA-N
MW364.38 g/mol
LogP3.63
Rot. Bonds5

About (2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 52535677) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is (2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID52535677
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C21H17FN2O3/c22-16-7-3-8-17(12-16)26-21-15(6-4-10-23-21)13-24-20(25)19-11-14-5-1-2-9-18(14)27-19/h1-10,12,19H,11,13H2,(H,24,25)/t19-/m1/s1
InChIKeyRSTQQMVIEGTMGO-LJQANCHMSA-N
XLogP3.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134004650
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111949655
(2S,5R)-5-(aminomethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120798007
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847828
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55862938
N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60557145
1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 138996886
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855
(4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 51943870
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46454616
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 112522518

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 52535677) is (2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is RSTQQMVIEGTMGO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H17FN2O3/c22-16-7-3-8-17(12-16)26-21-15(6-4-10-23-21)13-24-20(25)19-11-14-5-1-2-9-18(14)27-19/h1-10,12,19H,11,13H2,(H,24,25)/t19-/m1/s1.
What are the key properties of (2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 52535677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).