1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H14BrNO4 — CID 663702

IUPAC1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(Br)c2)N1Cc1ccco1
InChIInChI=1S/C22H14BrNO4/c23-14-6-3-5-13(11-14)19-18-20(25)16-8-1-2-9-17(16)28-21(18)22(26)24(19)12-15-7-4-10-27-15/h1-11,19H,12H2
InChIKeyQGFFEGHKRRHRJZ-UHFFFAOYSA-N
MW436.26 g/mol
LogP4.89
Rot. Bonds3

About 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 663702) has the molecular formula C22H14BrNO4 and a molecular weight of 436.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID663702
Molecular FormulaC22H14BrNO4
Molecular Weight436.26 g/mol
Exact Mass435.01
IUPAC Name1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(Br)c2)N1Cc1ccco1
InChIInChI=1S/C22H14BrNO4/c23-14-6-3-5-13(11-14)19-18-20(25)16-8-1-2-9-17(16)28-21(18)22(26)24(19)12-15-7-4-10-27-15/h1-11,19H,12H2
InChIKeyQGFFEGHKRRHRJZ-UHFFFAOYSA-N
XLogP4.89
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.26
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3,9-dioxo-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 663437
7-Fluoro-1-phenyl-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663458
1-(3-Bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663628
1-(3-Bromophenyl)-2-(2-(dimethylamino)ethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663694
1-(4-Methoxyphenyl)-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664040
1-(3-Bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664487
1-(3-Bromophenyl)-2-[2-(diethylamino)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664656
5-(3-bromophenyl)-1-(furan-2-ylmethyl)-3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
CID 2934100
4-[(5-Bromo-1-benzofuran-2-yl)carbonyl]morpholine
CID 2988316
7-Bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 665547
1-(3-Bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 665710
2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3247981

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 663702) is 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2cccc(Br)c2)N1Cc1ccco1.
What is the InChIKey of 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QGFFEGHKRRHRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrNO4/c23-14-6-3-5-13(11-14)19-18-20(25)16-8-1-2-9-17(16)28-21(18)22(26)24(19)12-15-7-4-10-27-15/h1-11,19H,12H2.
What are the key properties of 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 436.26 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 663702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).