N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C22H19NO4 — CID 24529970

IUPACN-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C22H19NO4/c1-25-19-8-4-5-9-20(19)26-17-12-10-16(11-13-17)23-22(24)21-14-15-6-2-3-7-18(15)27-21/h2-13,21H,14H2,1H3,(H,23,24)
InChIKeyYXXCIEOIMVNLQV-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.43
Rot. Bonds5

About N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 24529970) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID24529970
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C22H19NO4/c1-25-19-8-4-5-9-20(19)26-17-12-10-16(11-13-17)23-22(24)21-14-15-6-2-3-7-18(15)27-21/h2-13,21H,14H2,1H3,(H,23,24)
InChIKeyYXXCIEOIMVNLQV-UHFFFAOYSA-N
XLogP4.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 24529970) is N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is COc1ccccc1Oc1ccc(NC(=O)C2Cc3ccccc3O2)cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is YXXCIEOIMVNLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-25-19-8-4-5-9-20(19)26-17-12-10-16(11-13-17)23-22(24)21-14-15-6-2-3-7-18(15)27-21/h2-13,21H,14H2,1H3,(H,23,24).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24529970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).