1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C18H11BrClNO3 — CID 19130677

IUPAC1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1Cl)C(c1ccc(Br)cc1)NC3=O
InChIInChI=1S/C18H11BrClNO3/c1-8-6-13-11(7-12(8)20)16(22)14-15(21-18(23)17(14)24-13)9-2-4-10(19)5-3-9/h2-7,15H,1H3,(H,21,23)
InChIKeyBFQURWYUNNXBGD-UHFFFAOYSA-N
MW404.65 g/mol
LogP4.35
Rot. Bonds1

About 1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130677) has the molecular formula C18H11BrClNO3 and a molecular weight of 404.65 g/mol. Its IUPAC name is 1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130677
Molecular FormulaC18H11BrClNO3
Molecular Weight404.65 g/mol
Exact Mass402.96
IUPAC Name1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1Cl)C(c1ccc(Br)cc1)NC3=O
InChIInChI=1S/C18H11BrClNO3/c1-8-6-13-11(7-12(8)20)16(22)14-15(21-18(23)17(14)24-13)9-2-4-10(19)5-3-9/h2-7,15H,1H3,(H,21,23)
InChIKeyBFQURWYUNNXBGD-UHFFFAOYSA-N
XLogP4.35
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.65
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butoxyphenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130688
7-chloro-6-methyl-1-(4-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130694
7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130690
1-(3-bromophenyl)-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130725
7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130706
2-[4-(6,7-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
CID 19130767
7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130582
7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130475
(1S)-7-chloro-1-(4-chlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417731
7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130663
7-fluoro-1-(4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4859307
7-chloro-1-(3,4-dichlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134558

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130677) is 1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1ccc(Br)cc1)NC3=O.
What is the InChIKey of 1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BFQURWYUNNXBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClNO3/c1-8-6-13-11(7-12(8)20)16(22)14-15(21-18(23)17(14)24-13)9-2-4-10(19)5-3-9/h2-7,15H,1H3,(H,21,23).
What are the key properties of 1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 404.65 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).