(1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H16FNO5 — CID 2143912

IUPAC(1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C25H16FNO5/c26-17-7-3-1-5-15(17)22-21-23(28)16-6-2-4-8-18(16)32-24(21)25(29)27(22)12-14-9-10-19-20(11-14)31-13-30-19/h1-11,22H,12-13H2/t22-/m0/s1
InChIKeySUZSUFCIEQCLEX-QFIPXVFZSA-N
MW429.40 g/mol
LogP4.41
Rot. Bonds3

About (1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2143912) has the molecular formula C25H16FNO5 and a molecular weight of 429.40 g/mol. Its IUPAC name is (1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2143912
Molecular FormulaC25H16FNO5
Molecular Weight429.40 g/mol
Exact Mass429.10
IUPAC Name(1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C25H16FNO5/c26-17-7-3-1-5-15(17)22-21-23(28)16-6-2-4-8-18(16)32-24(21)25(29)27(22)12-14-9-10-19-20(11-14)31-13-30-19/h1-11,22H,12-13H2/t22-/m0/s1
InChIKeySUZSUFCIEQCLEX-QFIPXVFZSA-N
XLogP4.41
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809626
2-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2960551
(1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143972
2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4316394
(1S)-2-(1,3-benzodioxol-5-ylmethyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144166
(1S)-1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2017995
(1S)-2-(1,3-benzodioxol-5-ylmethyl)-1-(3-butoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851361
2-benzyl-7-bromo-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3565473
1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809854
(1S)-2-(1,3-benzodioxol-5-ylmethyl)-1-(4-tert-butylphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2214001
2-(1,3-benzodioxol-5-ylmethyl)-7-chloro-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4653364
(1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2215692

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2143912) is (1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1Cc1ccc2c(c1)OCO2.
What is the InChIKey of (1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is SUZSUFCIEQCLEX-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H16FNO5/c26-17-7-3-1-5-15(17)22-21-23(28)16-6-2-4-8-18(16)32-24(21)25(29)27(22)12-14-9-10-19-20(11-14)31-13-30-19/h1-11,22H,12-13H2/t22-/m0/s1.
What are the key properties of (1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 429.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2143912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).