2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

C27H20N2O6 — CID 18852878

IUPAC2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
SMILESCC(=O)c1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C27H20N2O6/c1-15(30)16-6-10-18(11-7-16)29-24(17-8-12-19(13-9-17)34-14-22(28)31)23-25(32)20-4-2-3-5-21(20)35-26(23)27(29)33/h2-13,24H,14H2,1H3,(H2,28,31)
InChIKeyAEOOKFRUCLBNRK-UHFFFAOYSA-N
MW468.47 g/mol
LogP3.61
Rot. Bonds6

About 2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (PubChem CID 18852878) has the molecular formula C27H20N2O6 and a molecular weight of 468.47 g/mol. Its IUPAC name is 2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
PubChem CID18852878
Molecular FormulaC27H20N2O6
Molecular Weight468.47 g/mol
Exact Mass468.13
IUPAC Name2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
SMILESCC(=O)c1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C27H20N2O6/c1-15(30)16-6-10-18(11-7-16)29-24(17-8-12-19(13-9-17)34-14-22(28)31)23-25(32)20-4-2-3-5-21(20)35-26(23)27(29)33/h2-13,24H,14H2,1H3,(H2,28,31)
InChIKeyAEOOKFRUCLBNRK-UHFFFAOYSA-N
XLogP3.61
TPSA119.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-(4-ethoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18852531
2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852214
2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855752
2-[4-[2-(4-fluorophenyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 18857229
2-[4-[2-(4-bromophenyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 18857223
2-(4-acetylphenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856520
2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 27308937
butyl 4-[1-[4-(2-amino-2-oxoethoxy)phenyl]-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18857225
butyl 4-[1-(4-methylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18851997
2-phenyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852380
methyl 4-[2-(4-ethylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18852535
2-[4-[(1R)-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 2004690

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (CID 18852878) is 2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is CC(=O)c1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(OCC(N)=O)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
The InChIKey is AEOOKFRUCLBNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O6/c1-15(30)16-6-10-18(11-7-16)29-24(17-8-12-19(13-9-17)34-14-22(28)31)23-25(32)20-4-2-3-5-21(20)35-26(23)27(29)33/h2-13,24H,14H2,1H3,(H2,28,31).
What are the key properties of 2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide has a molecular weight of 468.47 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is sourced from PubChem (CID 18852878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).