2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide

C21H18N2O5 — CID 19130767

IUPAC2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
SMILESCc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(OCC(N)=O)cc1)NC3=O
InChIInChI=1S/C21H18N2O5/c1-10-7-14-15(8-11(10)2)28-20-17(19(14)25)18(23-21(20)26)12-3-5-13(6-4-12)27-9-16(22)24/h3-8,18H,9H2,1-2H3,(H2,22,24)(H,23,26)
InChIKeyDRBCFNFEEXZWIU-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.11
Rot. Bonds4

About 2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide

2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide (PubChem CID 19130767) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
PubChem CID19130767
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
SMILESCc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(OCC(N)=O)cc1)NC3=O
InChIInChI=1S/C21H18N2O5/c1-10-7-14-15(8-11(10)2)28-20-17(19(14)25)18(23-21(20)26)12-3-5-13(6-4-12)27-9-16(22)24/h3-8,18H,9H2,1-2H3,(H2,22,24)(H,23,26)
InChIKeyDRBCFNFEEXZWIU-UHFFFAOYSA-N
XLogP2.11
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
CID 19130820
1-(4-butoxyphenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130688
2-[4-[2-(4-fluorophenyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 18857229
7-chloro-6-methyl-1-(4-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130694
7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130690
2-[4-[(1R)-2-benzyl-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 2212780
2-[4-[2-(4-bromophenyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 18857223
7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130475
1-(3-bromophenyl)-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130725
7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130533
1-(4-butoxyphenyl)-7-fluoro-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130534
1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130677

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide?
The IUPAC name of 2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide (CID 19130767) is 2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide is Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(OCC(N)=O)cc1)NC3=O.
What is the InChIKey of 2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide?
The InChIKey is DRBCFNFEEXZWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-10-7-14-15(8-11(10)2)28-20-17(19(14)25)18(23-21(20)26)12-3-5-13(6-4-12)27-9-16(22)24/h3-8,18H,9H2,1-2H3,(H2,22,24)(H,23,26).
What are the key properties of 2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide?
2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide has a molecular weight of 378.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 19130767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).