methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate

C24H19NO5 — CID 19371200

IUPACmethyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C24H19NO5/c1-28-24(27)19-7-3-5-9-21(19)29-15-23(26)25-18-12-10-16(11-13-18)22-14-17-6-2-4-8-20(17)30-22/h2-14H,15H2,1H3,(H,25,26)
InChIKeyHMGOVMSAUUGNKZ-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.90
Rot. Bonds6

About methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate

methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate (PubChem CID 19371200) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate
PubChem CID19371200
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Namemethyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C24H19NO5/c1-28-24(27)19-7-3-5-9-21(19)29-15-23(26)25-18-12-10-16(11-13-18)22-14-17-6-2-4-8-20(17)30-22/h2-14H,15H2,1H3,(H,25,26)
InChIKeyHMGOVMSAUUGNKZ-UHFFFAOYSA-N
XLogP4.90
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7764243
methyl 2-[2-(4-butylanilino)-2-oxoethoxy]benzoate
CID 7764225
methyl 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 42964430
ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate
CID 7694825
N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22780436
methyl 2-[[2-[2-[3-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]acetyl]amino]-5-chlorobenzoate
CID 66877661
methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
CID 7763998
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119
N-[4-(2-oxochromen-3-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1257824
N-(4-methoxyphenyl)-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
CID 44587589
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 22776254
2-[2-(hydrazinecarbonyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 54793411

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate (CID 19371200) is methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate is COC(=O)c1ccccc1OCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1.
What is the InChIKey of methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate?
The InChIKey is HMGOVMSAUUGNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-28-24(27)19-7-3-5-9-21(19)29-15-23(26)25-18-12-10-16(11-13-18)22-14-17-6-2-4-8-20(17)30-22/h2-14H,15H2,1H3,(H,25,26).
What are the key properties of methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate?
methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate has a molecular weight of 401.42 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[4-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 19371200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).