(1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H22FNO3 — CID 2215692

IUPAC(1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(CN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2F)cc1
InChIInChI=1S/C27H22FNO3/c1-15-8-10-18(11-9-15)14-29-24(19-6-4-5-7-21(19)28)23-25(30)20-12-16(2)17(3)13-22(20)32-26(23)27(29)31/h4-13,24H,14H2,1-3H3/t24-/m0/s1
InChIKeyPMFLUVRSCDUNRI-DEOSSOPVSA-N
MW427.48 g/mol
LogP5.60
Rot. Bonds3

About (1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2215692) has the molecular formula C27H22FNO3 and a molecular weight of 427.48 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2215692
Molecular FormulaC27H22FNO3
Molecular Weight427.48 g/mol
Exact Mass427.16
IUPAC Name(1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(CN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2F)cc1
InChIInChI=1S/C27H22FNO3/c1-15-8-10-18(11-9-15)14-29-24(19-6-4-5-7-21(19)28)23-25(30)20-12-16(2)17(3)13-22(20)32-26(23)27(29)31/h4-13,24H,14H2,1-3H3/t24-/m0/s1
InChIKeyPMFLUVRSCDUNRI-DEOSSOPVSA-N
XLogP5.60
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-(2-fluorophenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882569
1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809854
(1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143695
1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3652302
1-(2-fluorophenyl)-2,6,7-trimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2985110
(1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835945
1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809626
2-benzyl-7-bromo-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3565473
(1S)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2214700
7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4860329
(1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42387554
2-benzyl-1-(3-bromophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810753

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2215692) is (1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(CN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2F)cc1.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PMFLUVRSCDUNRI-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H22FNO3/c1-15-8-10-18(11-9-15)14-29-24(19-6-4-5-7-21(19)28)23-25(30)20-12-16(2)17(3)13-22(20)32-26(23)27(29)31/h4-13,24H,14H2,1-3H3/t24-/m0/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 427.48 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2215692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).