7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C19H14ClNO4 — CID 19130475

IUPAC7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2NC(=O)c3oc4ccc(Cl)cc4c(=O)c32)cc1
InChIInChI=1S/C19H14ClNO4/c1-2-24-12-6-3-10(4-7-12)16-15-17(22)13-9-11(20)5-8-14(13)25-18(15)19(23)21-16/h3-9,16H,2H2,1H3,(H,21,23)
InChIKeyAWHZAXZVYYXGDG-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.68
Rot. Bonds3

About 7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130475) has the molecular formula C19H14ClNO4 and a molecular weight of 355.78 g/mol. Its IUPAC name is 7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130475
Molecular FormulaC19H14ClNO4
Molecular Weight355.78 g/mol
Exact Mass355.06
IUPAC Name7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2NC(=O)c3oc4ccc(Cl)cc4c(=O)c32)cc1
InChIInChI=1S/C19H14ClNO4/c1-2-24-12-6-3-10(4-7-12)16-15-17(22)13-9-11(20)5-8-14(13)25-18(15)19(23)21-16/h3-9,16H,2H2,1H3,(H,21,23)
InChIKeyAWHZAXZVYYXGDG-UHFFFAOYSA-N
XLogP3.68
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butoxy-3-methoxyphenyl)-7-chloro-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130488
7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130508
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-butoxyphenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130688
7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130513
1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130385
7-chloro-6-methyl-1-(4-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130694
7-chloro-1-(4-ethoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853146
7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130690
7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130663
7-bromo-1-(4-butoxy-3-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130607

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130475) is 7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2NC(=O)c3oc4ccc(Cl)cc4c(=O)c32)cc1.
What is the InChIKey of 7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is AWHZAXZVYYXGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4/c1-2-24-12-6-3-10(4-7-12)16-15-17(22)13-9-11(20)5-8-14(13)25-18(15)19(23)21-16/h3-9,16H,2H2,1H3,(H,21,23).
What are the key properties of 7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 355.78 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).