(1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C20H16ClNO3 — CID 7388458

IUPAC(1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc1
InChIInChI=1S/C20H16ClNO3/c1-3-11-4-6-12(7-5-11)17-16-18(23)14-10-13(21)8-9-15(14)25-19(16)20(24)22(17)2/h4-10,17H,3H2,1-2H3/t17-/m1/s1
InChIKeyXHKUXCRWSBENND-QGZVFWFLSA-N
MW353.81 g/mol
LogP4.18
Rot. Bonds2

About (1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 7388458) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is (1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID7388458
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name(1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc1
InChIInChI=1S/C20H16ClNO3/c1-3-11-4-6-12(7-5-11)17-16-18(23)14-10-13(21)8-9-15(14)25-19(16)20(24)22(17)2/h4-10,17H,3H2,1-2H3/t17-/m1/s1
InChIKeyXHKUXCRWSBENND-QGZVFWFLSA-N
XLogP4.18
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879654
7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2987108
7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852979
7-chloro-2-methyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879694
7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 44812180
7-chloro-1-(4-hexoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879709
7-chloro-1-(4-ethylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4711228
(1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7734746
(1S)-7-fluoro-1-(4-fluorophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7741478
(1S)-7-chloro-1-(4-chlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417731
7-chloro-1-(2-fluorophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3556367
7-chloro-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809974

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 7388458) is (1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc1.
What is the InChIKey of (1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XHKUXCRWSBENND-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-3-11-4-6-12(7-5-11)17-16-18(23)14-10-13(21)8-9-15(14)25-19(16)20(24)22(17)2/h4-10,17H,3H2,1-2H3/t17-/m1/s1.
What are the key properties of (1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 353.81 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 7388458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).