3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one

C25H19NO5 — CID 19245179

IUPAC3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C25H19NO5/c1-2-29-16-13-11-15(12-14-16)22(27)23-21(19-9-5-6-10-20(19)30-23)26-24-17-7-3-4-8-18(17)25(28)31-24/h3-14,24,26H,2H2,1H3
InChIKeyPRTDSTWZMPRMQD-UHFFFAOYSA-N
MW413.43 g/mol
LogP5.34
Rot. Bonds6

About 3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one

3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one (PubChem CID 19245179) has the molecular formula C25H19NO5 and a molecular weight of 413.43 g/mol. Its IUPAC name is 3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one
PubChem CID19245179
Molecular FormulaC25H19NO5
Molecular Weight413.43 g/mol
Exact Mass413.13
IUPAC Name3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C25H19NO5/c1-2-29-16-13-11-15(12-14-16)22(27)23-21(19-9-5-6-10-20(19)30-23)26-24-17-7-3-4-8-18(17)25(28)31-24/h3-14,24,26H,2H2,1H3
InChIKeyPRTDSTWZMPRMQD-UHFFFAOYSA-N
XLogP5.34
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880617
2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18847905
(3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2207639
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197
5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-ethylsulfonylpyrimidine-4-carboxamide
CID 18880073
4-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-nitrobenzamide
CID 18847930
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092512
3-(4-ethoxybenzoyl)-2-phenylchromen-4-one
CID 134910996
2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 3324906
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092513

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one (CID 19245179) is 3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one is CCOc1ccc(C(=O)c2oc3ccccc3c2NC2OC(=O)c3ccccc32)cc1.
What is the InChIKey of 3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one?
The InChIKey is PRTDSTWZMPRMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO5/c1-2-29-16-13-11-15(12-14-16)22(27)23-21(19-9-5-6-10-20(19)30-23)26-24-17-7-3-4-8-18(17)25(28)31-24/h3-14,24,26H,2H2,1H3.
What are the key properties of 3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one?
3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one has a molecular weight of 413.43 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 19245179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).