1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H22ClFN2O3 — CID 4705503

IUPAC1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1cccc(Cl)c1
InChIInChI=1S/C23H22ClFN2O3/c1-3-26(4-2)10-11-27-20(14-6-5-7-15(24)12-14)19-21(28)17-13-16(25)8-9-18(17)30-22(19)23(27)29/h5-9,12-13,20H,3-4,10-11H2,1-2H3
InChIKeyWOBFTHRKZNFANM-UHFFFAOYSA-N
MW428.89 g/mol
LogP4.47
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4705503) has the molecular formula C23H22ClFN2O3 and a molecular weight of 428.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4705503
Molecular FormulaC23H22ClFN2O3
Molecular Weight428.89 g/mol
Exact Mass428.13
IUPAC Name1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1cccc(Cl)c1
InChIInChI=1S/C23H22ClFN2O3/c1-3-26(4-2)10-11-27-20(14-6-5-7-15(24)12-14)19-21(28)17-13-16(25)8-9-18(17)30-22(19)23(27)29/h5-9,12-13,20H,3-4,10-11H2,1-2H3
InChIKeyWOBFTHRKZNFANM-UHFFFAOYSA-N
XLogP4.47
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.89
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4705503) is 1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is WOBFTHRKZNFANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O3/c1-3-26(4-2)10-11-27-20(14-6-5-7-15(24)12-14)19-21(28)17-13-16(25)8-9-18(17)30-22(19)23(27)29/h5-9,12-13,20H,3-4,10-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 428.89 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4705503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).