1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H11ClFN3O3 — CID 4035616

IUPAC1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc(Cl)c2)N1c1ncccn1
InChIInChI=1S/C21H11ClFN3O3/c22-12-4-1-3-11(9-12)17-16-18(27)14-10-13(23)5-6-15(14)29-19(16)20(28)26(17)21-24-7-2-8-25-21/h1-10,17H
InChIKeyRBCBWAOWSXKPTM-UHFFFAOYSA-N
MW407.79 g/mol
LogP4.13
Rot. Bonds2

About 1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4035616) has the molecular formula C21H11ClFN3O3 and a molecular weight of 407.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4035616
Molecular FormulaC21H11ClFN3O3
Molecular Weight407.79 g/mol
Exact Mass407.05
IUPAC Name1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc(Cl)c2)N1c1ncccn1
InChIInChI=1S/C21H11ClFN3O3/c22-12-4-1-3-11(9-12)17-16-18(27)14-10-13(23)5-6-15(14)29-19(16)20(28)26(17)21-24-7-2-8-25-21/h1-10,17H
InChIKeyRBCBWAOWSXKPTM-UHFFFAOYSA-N
XLogP4.13
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.79
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3-chlorophenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7578256
1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4675379
7-chloro-1-(3-phenoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3931970
7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3848651
2-(4-acetylphenyl)-1-(3-chlorophenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855914
1-(4-chlorophenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708858
7-chloro-1-(4-methylsulfanylphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3784300
1-(4-butoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820787
1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820782
1-(4-fluorophenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4212829
7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853062
7-bromo-1,2-bis(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854898

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4035616) is 1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc(Cl)c2)N1c1ncccn1.
What is the InChIKey of 1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RBCBWAOWSXKPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClFN3O3/c22-12-4-1-3-11(9-12)17-16-18(27)14-10-13(23)5-6-15(14)29-19(16)20(28)26(17)21-24-7-2-8-25-21/h1-10,17H.
What are the key properties of 1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 407.79 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4035616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).