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

C23H16ClNO4 — CID 27308706

IUPAC(1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C23H16ClNO4/c1-13-4-6-14(7-5-13)20-19-21(26)17-11-15(24)8-9-18(17)29-22(19)23(27)25(20)12-16-3-2-10-28-16/h2-11,20H,12H2,1H3/t20-/m1/s1
InChIKeyBSDNIJURQHXPFW-HXUWFJFHSA-N
MW405.84 g/mol
LogP5.09
Rot. Bonds3

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

(1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 27308706) has the molecular formula C23H16ClNO4 and a molecular weight of 405.84 g/mol. Its IUPAC name is (1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID27308706
Molecular FormulaC23H16ClNO4
Molecular Weight405.84 g/mol
Exact Mass405.08
IUPAC Name(1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C23H16ClNO4/c1-13-4-6-14(7-5-13)20-19-21(26)17-11-15(24)8-9-18(17)29-22(19)23(27)25(20)12-16-3-2-10-28-16/h2-11,20H,12H2,1H3/t20-/m1/s1
InChIKeyBSDNIJURQHXPFW-HXUWFJFHSA-N
XLogP5.09
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.84
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

1-(4-chlorophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4223731
(1R)-1-(4-chlorophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2030987
methyl 4-[(1S)-7-chloro-2-(furan-2-ylmethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 2037770
(1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2001195
(1S)-2-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2015249
(1S)-7-chloro-1-(4-hydroxyphenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144422
7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4918987
(1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2010034
(1S)-1-(3-chlorophenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2007177
(1S)-1-(3-chlorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7528655
7-chloro-1-(4-methylphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3790908
7-chloro-2-(furan-2-ylmethyl)-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820221

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 27308706) is (1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1.
What is the InChIKey of (1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BSDNIJURQHXPFW-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H16ClNO4/c1-13-4-6-14(7-5-13)20-19-21(26)17-11-15(24)8-9-18(17)29-22(19)23(27)25(20)12-16-3-2-10-28-16/h2-11,20H,12H2,1H3/t20-/m1/s1.
What are the key properties of (1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 405.84 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-2-(furan-2-ylmethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 27308706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).