7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H19ClFNO4 — CID 18853386

IUPAC7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C30H19ClFNO4/c31-20-8-15-25-24(16-20)28(34)26-27(33(30(35)29(26)37-25)22-11-9-21(32)10-12-22)19-6-13-23(14-7-19)36-17-18-4-2-1-3-5-18/h1-16,27H,17H2
InChIKeyNWZBTWUIUWSEAY-UHFFFAOYSA-N
MW511.94 g/mol
LogP6.91
Rot. Bonds5

About 7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18853386) has the molecular formula C30H19ClFNO4 and a molecular weight of 511.94 g/mol. Its IUPAC name is 7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18853386
Molecular FormulaC30H19ClFNO4
Molecular Weight511.94 g/mol
Exact Mass511.10
IUPAC Name7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C30H19ClFNO4/c31-20-8-15-25-24(16-20)28(34)26-27(33(30(35)29(26)37-25)22-11-9-21(32)10-12-22)19-6-13-23(14-7-19)36-17-18-4-2-1-3-5-18/h1-16,27H,17H2
InChIKeyNWZBTWUIUWSEAY-UHFFFAOYSA-N
XLogP6.91
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.94
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852958
2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855752
7-bromo-2-(4-bromophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854734
7-chloro-1-(4-ethoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853146
2-phenyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852380
2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852657
7-chloro-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853062
2-(4-ethoxyphenyl)-7-fluoro-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855314
7-chloro-2-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853648
7-chloro-1-(4-fluorophenyl)-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853073
7-fluoro-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855423
2-(3-bromophenyl)-7-chloro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853069

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18853386) is 7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1.
What is the InChIKey of 7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NWZBTWUIUWSEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19ClFNO4/c31-20-8-15-25-24(16-20)28(34)26-27(33(30(35)29(26)37-25)22-11-9-21(32)10-12-22)19-6-13-23(14-7-19)36-17-18-4-2-1-3-5-18/h1-16,27H,17H2.
What are the key properties of 7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 511.94 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18853386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).