2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H21F2NO5 — CID 3848664

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccccc2F)cc1OC
InChIInChI=1S/C27H21F2NO5/c1-33-21-9-7-15(13-22(21)34-2)11-12-30-24(17-5-3-4-6-19(17)29)23-25(31)18-14-16(28)8-10-20(18)35-26(23)27(30)32/h3-10,13-14,24H,11-12H2,1-2H3
InChIKeyBXYCGEYBNPPMNJ-UHFFFAOYSA-N
MW477.46 g/mol
LogP4.88
Rot. Bonds6

About 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3848664) has the molecular formula C27H21F2NO5 and a molecular weight of 477.46 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3848664
Molecular FormulaC27H21F2NO5
Molecular Weight477.46 g/mol
Exact Mass477.14
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccccc2F)cc1OC
InChIInChI=1S/C27H21F2NO5/c1-33-21-9-7-15(13-22(21)34-2)11-12-30-24(17-5-3-4-6-19(17)29)23-25(31)18-14-16(28)8-10-20(18)35-26(23)27(30)32/h3-10,13-14,24H,11-12H2,1-2H3
InChIKeyBXYCGEYBNPPMNJ-UHFFFAOYSA-N
XLogP4.88
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3636822
7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4216940
1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3652302
1-(3-butoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820709
2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4894342
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820012
(1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316067
7-bromo-1-(2-fluorophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4585678
(1S)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1034433
7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4860329
(1S)-7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2032892
7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4046348

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3848664) is 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccccc2F)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BXYCGEYBNPPMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2NO5/c1-33-21-9-7-15(13-22(21)34-2)11-12-30-24(17-5-3-4-6-19(17)29)23-25(31)18-14-16(28)8-10-20(18)35-26(23)27(30)32/h3-10,13-14,24H,11-12H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 477.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3848664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).