1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C20H15BrClNO4 — CID 5136141

IUPAC1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Br)c2)N1CCCO
InChIInChI=1S/C20H15BrClNO4/c21-12-4-1-3-11(9-12)17-16-18(25)14-10-13(22)5-6-15(14)27-19(16)20(26)23(17)7-2-8-24/h1,3-6,9-10,17,24H,2,7-8H2
InChIKeyDLSFBWVRVKDRRC-UHFFFAOYSA-N
MW448.70 g/mol
LogP4.14
Rot. Bonds4

About 1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 5136141) has the molecular formula C20H15BrClNO4 and a molecular weight of 448.70 g/mol. Its IUPAC name is 1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID5136141
Molecular FormulaC20H15BrClNO4
Molecular Weight448.70 g/mol
Exact Mass446.99
IUPAC Name1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Br)c2)N1CCCO
InChIInChI=1S/C20H15BrClNO4/c21-12-4-1-3-11(9-12)17-16-18(25)14-10-13(22)5-6-15(14)27-19(16)20(26)23(17)7-2-8-24/h1,3-6,9-10,17,24H,2,7-8H2
InChIKeyDLSFBWVRVKDRRC-UHFFFAOYSA-N
XLogP4.14
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.70
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-1-(3-chlorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3518354
(1S)-1-(3-bromophenyl)-7-chloro-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242514
(1S)-7-chloro-2-(2-hydroxyethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40606586
(1R)-7-bromo-2-(3-hydroxypropyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41028049
(1S)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40728678
7-bromo-2-(3-hydroxypropyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3457590
(1S)-7-chloro-1-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308560
7-bromo-1-(3-chlorophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705667
7-bromo-1-(3-bromophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705191
(1S)-7-chloro-1-(3-chlorophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066329
1-(4-bromophenyl)-7-chloro-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706410
7-chloro-2-[2-(dimethylamino)ethyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705831

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 5136141) is 1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Br)c2)N1CCCO.
What is the InChIKey of 1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DLSFBWVRVKDRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClNO4/c21-12-4-1-3-11(9-12)17-16-18(25)14-10-13(22)5-6-15(14)27-19(16)20(26)23(17)7-2-8-24/h1,3-6,9-10,17,24H,2,7-8H2.
What are the key properties of 1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 448.70 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-7-chloro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 5136141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).