(1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H14FNO4 — CID 7010738

IUPAC(1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1ccco1
InChIInChI=1S/C22H14FNO4/c23-14-9-7-13(8-10-14)19-18-20(25)16-5-1-2-6-17(16)28-21(18)22(26)24(19)12-15-4-3-11-27-15/h1-11,19H,12H2/t19-/m0/s1
InChIKeyKOAQMJALJIQERM-IBGZPJMESA-N
MW375.36 g/mol
LogP4.27
Rot. Bonds3

About (1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 7010738) has the molecular formula C22H14FNO4 and a molecular weight of 375.36 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID7010738
Molecular FormulaC22H14FNO4
Molecular Weight375.36 g/mol
Exact Mass375.09
IUPAC Name(1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1ccco1
InChIInChI=1S/C22H14FNO4/c23-14-9-7-13(8-10-14)19-18-20(25)16-5-1-2-6-17(16)28-21(18)22(26)24(19)12-15-4-3-11-27-15/h1-11,19H,12H2/t19-/m0/s1
InChIKeyKOAQMJALJIQERM-IBGZPJMESA-N
XLogP4.27
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3723305
(1S)-1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2017995
(1R)-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023372
(1S)-1-(3-chlorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7528655
(1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1423205
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809538
1-(4-ethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3399190
(1R)-2-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2045156
(1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7523292
(1S)-1-(3-chlorophenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2007177
(1S)-1-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7740800
(1R)-7-bromo-2-(furan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2003196

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 7010738) is (1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1ccco1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KOAQMJALJIQERM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H14FNO4/c23-14-9-7-13(8-10-14)19-18-20(25)16-5-1-2-6-17(16)28-21(18)22(26)24(19)12-15-4-3-11-27-15/h1-11,19H,12H2/t19-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 375.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 7010738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).