(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C21H17NO3 — CID 9074346

IUPAC(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C21H17NO3/c23-21(20-14-15-6-4-5-9-19(15)25-20)22-16-10-12-18(13-11-16)24-17-7-2-1-3-8-17/h1-13,20H,14H2,(H,22,23)/t20-/m1/s1
InChIKeyQLPDRERINSIXPU-HXUWFJFHSA-N
MW331.37 g/mol
LogP4.42
Rot. Bonds4

About (2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 9074346) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is (2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID9074346
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C21H17NO3/c23-21(20-14-15-6-4-5-9-19(15)25-20)22-16-10-12-18(13-11-16)24-17-7-2-1-3-8-17/h1-13,20H,14H2,(H,22,23)/t20-/m1/s1
InChIKeyQLPDRERINSIXPU-HXUWFJFHSA-N
XLogP4.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24529970
1-oxo-N-(4-phenoxyphenyl)-3,4-dihydroisochromene-3-carboxamide
CID 43024623
(2R)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9076169
(2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9076172
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18070767
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 30784955
N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 58310844
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17438968

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 9074346) is (2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is QLPDRERINSIXPU-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H17NO3/c23-21(20-14-15-6-4-5-9-19(15)25-20)22-16-10-12-18(13-11-16)24-17-7-2-1-3-8-17/h1-13,20H,14H2,(H,22,23)/t20-/m1/s1.
What are the key properties of (2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9074346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).