N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H16FNO3 — CID 60557145

IUPACN-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccc(F)c1)C1Cc2ccccc2O1
InChIInChI=1S/C21H16FNO3/c22-15-7-5-8-16(13-15)25-19-11-4-2-9-17(19)23-21(24)20-12-14-6-1-3-10-18(14)26-20/h1-11,13,20H,12H2,(H,23,24)
InChIKeyUEQSTDKZKWYEBS-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.56
Rot. Bonds4

About N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 60557145) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID60557145
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC NameN-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccc(F)c1)C1Cc2ccccc2O1
InChIInChI=1S/C21H16FNO3/c22-15-7-5-8-16(13-15)25-19-11-4-2-9-17(19)23-21(24)20-12-14-6-1-3-10-18(14)26-20/h1-11,13,20H,12H2,(H,23,24)
InChIKeyUEQSTDKZKWYEBS-UHFFFAOYSA-N
XLogP4.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42926742
N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 166224450
(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 52535677
N-[2-(3-methylphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17428929
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9074346
N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24529970
methyl 5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-2,4-difluorobenzoate
CID 24659375
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083841
1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea
CID 110901786

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 60557145) is N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1Oc1cccc(F)c1)C1Cc2ccccc2O1.
What is the InChIKey of N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is UEQSTDKZKWYEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3/c22-15-7-5-8-16(13-15)25-19-11-4-2-9-17(19)23-21(24)20-12-14-6-1-3-10-18(14)26-20/h1-11,13,20H,12H2,(H,23,24).
What are the key properties of N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60557145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).