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

C26H20ClNO3 — CID 4309891

IUPAC7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C26H20ClNO3/c1-16-7-9-18(10-8-16)23-22-24(29)20-15-19(27)11-12-21(20)31-25(22)26(30)28(23)14-13-17-5-3-2-4-6-17/h2-12,15,23H,13-14H2,1H3
InChIKeyRHQAAJHLXJDKIB-UHFFFAOYSA-N
MW429.90 g/mol
LogP5.54
Rot. Bonds4

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

7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4309891) has the molecular formula C26H20ClNO3 and a molecular weight of 429.90 g/mol. Its IUPAC name is 7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4309891
Molecular FormulaC26H20ClNO3
Molecular Weight429.90 g/mol
Exact Mass429.11
IUPAC Name7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C26H20ClNO3/c1-16-7-9-18(10-8-16)23-22-24(29)20-15-19(27)11-12-21(20)31-25(22)26(30)28(23)14-13-17-5-3-2-4-6-17/h2-12,15,23H,13-14H2,1H3
InChIKeyRHQAAJHLXJDKIB-UHFFFAOYSA-N
XLogP5.54
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.90
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-(4-hydroxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706688
7-methyl-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3282039
(1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40871849
7-chloro-1-(4-hexoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706716
2-benzyl-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3844577
7-chloro-1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3501356
7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4551176
(1S)-7-chloro-2-(2-hydroxyethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40606586
(1S)-7-chloro-1-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144422
7-chloro-1-(4-methylphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3790908
(1S)-7-chloro-2-[3-(diethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242481
2-benzyl-7-chloro-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810217

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4309891) is 7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of 7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RHQAAJHLXJDKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClNO3/c1-16-7-9-18(10-8-16)23-22-24(29)20-15-19(27)11-12-21(20)31-25(22)26(30)28(23)14-13-17-5-3-2-4-6-17/h2-12,15,23H,13-14H2,1H3.
What are the key properties of 7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 429.90 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4309891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).