methyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate

C23H19NO5 — CID 122678018

IUPACmethyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC1(c2ccc(OC)cc2)OC(=O)c2ccccc21
InChIInChI=1S/C23H19NO5/c1-27-16-13-11-15(12-14-16)23(19-9-5-3-7-17(19)22(26)29-23)24-20-10-6-4-8-18(20)21(25)28-2/h3-14,24H,1-2H3
InChIKeyWZLNKQVJLBIXHH-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.97
Rot. Bonds5

About methyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate

methyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate (PubChem CID 122678018) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate
PubChem CID122678018
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Namemethyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC1(c2ccc(OC)cc2)OC(=O)c2ccccc21
InChIInChI=1S/C23H19NO5/c1-27-16-13-11-15(12-14-16)23(19-9-5-3-7-17(19)22(26)29-23)24-20-10-6-4-8-18(20)21(25)28-2/h3-14,24H,1-2H3
InChIKeyWZLNKQVJLBIXHH-UHFFFAOYSA-N
XLogP3.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate with MolForge

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Related Compounds

[4-[1-[4-(2-methylbenzoyl)oxyphenyl]-3-oxo-2-benzofuran-1-yl]phenyl] 2-methylbenzoate
CID 3272719
methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 719429
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate
CID 14946047
methyl 2-[[(Z)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 101360662
3',6'-bis(4-methoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 21242146
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
methyl 2-amino-3-(4-methoxyphenyl)benzoate
CID 171919931
methyl 2-[[4-(4-methoxyphenyl)-2,4-dioxobutanoyl]amino]benzoate
CID 177254221
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
methyl 2-hydrazinylbenzoate;hydrochloride
CID 71758151

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate?
The IUPAC name of methyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate (CID 122678018) is methyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate is COC(=O)c1ccccc1NC1(c2ccc(OC)cc2)OC(=O)c2ccccc21.
What is the InChIKey of methyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate?
The InChIKey is WZLNKQVJLBIXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-27-16-13-11-15(12-14-16)23(19-9-5-3-7-17(19)22(26)29-23)24-20-10-6-4-8-18(20)21(25)28-2/h3-14,24H,1-2H3.
What are the key properties of methyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate?
methyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate has a molecular weight of 389.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4-methoxyphenyl)-3-oxo-2-benzofuran-1-yl]amino]benzoate is sourced from PubChem (CID 122678018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).