(1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H15ClFNO4 — CID 41137997

IUPAC(1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccccc1Cl
InChIInChI=1S/C24H15ClFNO4/c25-18-4-2-1-3-14(18)12-27-21(13-5-8-16(28)9-6-13)20-22(29)17-11-15(26)7-10-19(17)31-23(20)24(27)30/h1-11,21,28H,12H2/t21-/m1/s1
InChIKeyNRBVJWXGSBPREJ-OAQYLSRUSA-N
MW435.84 g/mol
LogP5.04
Rot. Bonds3

About (1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41137997) has the molecular formula C24H15ClFNO4 and a molecular weight of 435.84 g/mol. Its IUPAC name is (1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID41137997
Molecular FormulaC24H15ClFNO4
Molecular Weight435.84 g/mol
Exact Mass435.07
IUPAC Name(1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccccc1Cl
InChIInChI=1S/C24H15ClFNO4/c25-18-4-2-1-3-14(18)12-27-21(13-5-8-16(28)9-6-13)20-22(29)17-11-15(26)7-10-19(17)31-23(20)24(27)30/h1-11,21,28H,12H2/t21-/m1/s1
InChIKeyNRBVJWXGSBPREJ-OAQYLSRUSA-N
XLogP5.04
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.84
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143941
2-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810283
2-[(2-chlorophenyl)methyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810351
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(2-chlorophenyl)methyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2960016
(1R)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(2-chlorophenyl)methyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2215168
2-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-pentoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810420
7-bromo-1-(4-tert-butylphenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810518
2-benzyl-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5070099
7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706574
7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810608
7-chloro-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809974
(1S)-2-benzyl-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315202

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 41137997) is (1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccccc1Cl.
What is the InChIKey of (1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NRBVJWXGSBPREJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H15ClFNO4/c25-18-4-2-1-3-14(18)12-27-21(13-5-8-16(28)9-6-13)20-22(29)17-11-15(26)7-10-19(17)31-23(20)24(27)30/h1-11,21,28H,12H2/t21-/m1/s1.
What are the key properties of (1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 435.84 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2-chlorophenyl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41137997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).