2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H15ClN2O6 — CID 18853052

IUPAC2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(=O)c1ccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C25H15ClN2O6/c1-13(29)14-2-7-17(8-3-14)27-22(15-4-9-18(10-5-15)28(32)33)21-23(30)19-12-16(26)6-11-20(19)34-24(21)25(27)31/h2-12,22H,1H3
InChIKeyIJKCUXLMWROLJX-UHFFFAOYSA-N
MW474.86 g/mol
LogP5.31
Rot. Bonds4

About 2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18853052) has the molecular formula C25H15ClN2O6 and a molecular weight of 474.86 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18853052
Molecular FormulaC25H15ClN2O6
Molecular Weight474.86 g/mol
Exact Mass474.06
IUPAC Name2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(=O)c1ccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C25H15ClN2O6/c1-13(29)14-2-7-17(8-3-14)27-22(15-4-9-18(10-5-15)28(32)33)21-23(30)19-12-16(26)6-11-20(19)34-24(21)25(27)31/h2-12,22H,1H3
InChIKeyIJKCUXLMWROLJX-UHFFFAOYSA-N
XLogP5.31
TPSA110.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.86
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[7-chloro-1-(4-nitrophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18853054
7-chloro-1-(4-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3593868
2-(4-acetylphenyl)-1-(3-chlorophenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855914
7-chloro-2-(2-hydroxyethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3845700
2-(4-acetylphenyl)-7-bromo-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854439
7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852979
ethyl 4-[1-(4-nitrophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18852059
2-(4-acetylphenyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855554
7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853018
2-(4-acetylphenyl)-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857287
ethyl 4-[7-chloro-1-(4-methylsulfanylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18853929
methyl 4-[7-chloro-2-(3-chloro-4-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18853530

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18853052) is 2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(=O)c1ccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IJKCUXLMWROLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClN2O6/c1-13(29)14-2-7-17(8-3-14)27-22(15-4-9-18(10-5-15)28(32)33)21-23(30)19-12-16(26)6-11-20(19)34-24(21)25(27)31/h2-12,22H,1H3.
What are the key properties of 2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 474.86 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-7-chloro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18853052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).