1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C19H14ClNO3 — CID 19130803

IUPAC1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2c(=O)c3c(oc2c1C)C(=O)NC3c1cccc(Cl)c1
InChIInChI=1S/C19H14ClNO3/c1-9-6-7-13-16(22)14-15(11-4-3-5-12(20)8-11)21-19(23)18(14)24-17(13)10(9)2/h3-8,15H,1-2H3,(H,21,23)
InChIKeyDAZUKPGHQQEVTL-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.90
Rot. Bonds1

About 1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130803) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130803
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2c(=O)c3c(oc2c1C)C(=O)NC3c1cccc(Cl)c1
InChIInChI=1S/C19H14ClNO3/c1-9-6-7-13-16(22)14-15(11-4-3-5-12(20)8-11)21-19(23)18(14)24-17(13)10(9)2/h3-8,15H,1-2H3,(H,21,23)
InChIKeyDAZUKPGHQQEVTL-UHFFFAOYSA-N
XLogP3.90
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130794
1-(3-bromophenyl)-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130725
1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130677
5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130861
7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130706
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-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2037154
4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one
CID 79960805
(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2033311
7-chloro-6-methyl-1-(4-phenylmethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130690
1-(4-butoxyphenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130688

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130803) is 1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2c(=O)c3c(oc2c1C)C(=O)NC3c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DAZUKPGHQQEVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3/c1-9-6-7-13-16(22)14-15(11-4-3-5-12(20)8-11)21-19(23)18(14)24-17(13)10(9)2/h3-8,15H,1-2H3,(H,21,23).
What are the key properties of 1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 339.78 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5,6-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).