2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H23ClFNO5 — CID 18856302

IUPAC2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(Cl)c2)ccc1OCC(C)C
InChIInChI=1S/C28H23ClFNO5/c1-15(2)14-35-22-9-7-16(11-23(22)34-3)25-24-26(32)20-13-18(30)8-10-21(20)36-27(24)28(33)31(25)19-6-4-5-17(29)12-19/h4-13,15,25H,14H2,1-3H3
InChIKeyXDELQXBNVWYEQJ-UHFFFAOYSA-N
MW507.95 g/mol
LogP6.38
Rot. Bonds6

About 2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856302) has the molecular formula C28H23ClFNO5 and a molecular weight of 507.95 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18856302
Molecular FormulaC28H23ClFNO5
Molecular Weight507.95 g/mol
Exact Mass507.12
IUPAC Name2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(Cl)c2)ccc1OCC(C)C
InChIInChI=1S/C28H23ClFNO5/c1-15(2)14-35-22-9-7-16(11-23(22)34-3)25-24-26(32)20-13-18(30)8-10-21(20)36-27(24)28(33)31(25)19-6-4-5-17(29)12-19/h4-13,15,25H,14H2,1-3H3
InChIKeyXDELQXBNVWYEQJ-UHFFFAOYSA-N
XLogP6.38
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.95
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(4-ethylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854293
7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854291
7-bromo-2-(3-chlorophenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854755
2-(3-chloro-4-methoxyphenyl)-1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855533
7-fluoro-2-[(4-fluorophenyl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810457
1-(4-butoxy-3-methoxyphenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855791
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853964
2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707378
butyl 4-[7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18856301
2-(3-bromophenyl)-7-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855805
2-(3-chloro-4-methoxyphenyl)-7-fluoro-1-(3-methoxy-4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855497
2-(3-chlorophenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852440

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856302) is 2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(Cl)c2)ccc1OCC(C)C.
What is the InChIKey of 2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XDELQXBNVWYEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClFNO5/c1-15(2)14-35-22-9-7-16(11-23(22)34-3)25-24-26(32)20-13-18(30)8-10-21(20)36-27(24)28(33)31(25)19-6-4-5-17(29)12-19/h4-13,15,25H,14H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 507.95 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).