7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C19H12Cl3NO3 — CID 19134558

IUPAC7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1Cl)C(c1ccc(Cl)c(Cl)c1)N(C)C3=O
InChIInChI=1S/C19H12Cl3NO3/c1-8-5-14-10(7-12(8)21)17(24)15-16(23(2)19(25)18(15)26-14)9-3-4-11(20)13(22)6-9/h3-7,16H,1-2H3
InChIKeyOWAGMEYXFCJWCH-UHFFFAOYSA-N
MW408.67 g/mol
LogP5.24
Rot. Bonds1

About 7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19134558) has the molecular formula C19H12Cl3NO3 and a molecular weight of 408.67 g/mol. Its IUPAC name is 7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19134558
Molecular FormulaC19H12Cl3NO3
Molecular Weight408.67 g/mol
Exact Mass406.99
IUPAC Name7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1Cl)C(c1ccc(Cl)c(Cl)c1)N(C)C3=O
InChIInChI=1S/C19H12Cl3NO3/c1-8-5-14-10(7-12(8)21)17(24)15-16(23(2)19(25)18(15)26-14)9-3-4-11(20)13(22)6-9/h3-7,16H,1-2H3
InChIKeyOWAGMEYXFCJWCH-UHFFFAOYSA-N
XLogP5.24
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.67
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

1-(3,4-dichlorophenyl)-2,6,7-trimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879762
(1S)-7-chloro-1-(4-chlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417731
(1R)-7-chloro-1-(3-chlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417728
methyl 4-[(1R)-7-chloro-2,6-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 41417732
2,6,7-trimethyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879758
1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4911918
1-(3,4-dichlorophenyl)-6,7-dimethyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3782168
2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2960128
1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4704991
(1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2018164
7-chloro-1-(3,4-dimethoxyphenyl)-6-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882259
(1R)-7-chloro-6-methyl-1,2-dipyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7620958

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19134558) is 7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1ccc(Cl)c(Cl)c1)N(C)C3=O.
What is the InChIKey of 7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OWAGMEYXFCJWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3NO3/c1-8-5-14-10(7-12(8)21)17(24)15-16(23(2)19(25)18(15)26-14)9-3-4-11(20)13(22)6-9/h3-7,16H,1-2H3.
What are the key properties of 7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 408.67 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19134558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).