(1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H19Cl2FN2O3 — CID 42066631

IUPAC(1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H19Cl2FN2O3/c1-26(2)8-3-9-27-19(12-4-6-15(23)16(24)10-12)18-20(28)14-11-13(25)5-7-17(14)30-21(18)22(27)29/h4-7,10-11,19H,3,8-9H2,1-2H3/t19-/m1/s1
InChIKeyKCAGEOUJNQFSND-LJQANCHMSA-N
MW449.31 g/mol
LogP4.74
Rot. Bonds5

About (1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 42066631) has the molecular formula C22H19Cl2FN2O3 and a molecular weight of 449.31 g/mol. Its IUPAC name is (1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID42066631
Molecular FormulaC22H19Cl2FN2O3
Molecular Weight449.31 g/mol
Exact Mass448.08
IUPAC Name(1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H19Cl2FN2O3/c1-26(2)8-3-9-27-19(12-4-6-15(23)16(24)10-12)18-20(28)14-11-13(25)5-7-17(14)30-21(18)22(27)29/h4-7,10-11,19H,3,8-9H2,1-2H3/t19-/m1/s1
InChIKeyKCAGEOUJNQFSND-LJQANCHMSA-N
XLogP4.74
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.31
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066659
1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705856
(1S)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196581
(1S)-1-(3,4-dichlorophenyl)-7-fluoro-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2016622
1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705585
(1R)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066651
(1R)-1-(3,4-dichlorophenyl)-7-fluoro-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 29204945
1-(3,4-dichlorophenyl)-7-fluoro-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705282
2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4894326
2-[3-(dimethylamino)propyl]-7-fluoro-1-(3-methoxy-4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705960
7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4551176
2-[2-(dimethylamino)ethyl]-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705759

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 42066631) is (1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KCAGEOUJNQFSND-LJQANCHMSA-N. The full InChI is InChI=1S/C22H19Cl2FN2O3/c1-26(2)8-3-9-27-19(12-4-6-15(23)16(24)10-12)18-20(28)14-11-13(25)5-7-17(14)30-21(18)22(27)29/h4-7,10-11,19H,3,8-9H2,1-2H3/t19-/m1/s1.
What are the key properties of (1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 449.31 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 42066631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).