(1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H13FN2O6 — CID 1423205

IUPAC(1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1
InChIInChI=1S/C22H13FN2O6/c23-13-5-8-17-16(10-13)20(26)18-19(12-3-6-14(7-4-12)25(28)29)24(22(27)21(18)31-17)11-15-2-1-9-30-15/h1-10,19H,11H2/t19-/m0/s1
InChIKeyLKNOZESANXIMFK-IBGZPJMESA-N
MW420.35 g/mol
LogP4.18
Rot. Bonds4

About (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 1423205) has the molecular formula C22H13FN2O6 and a molecular weight of 420.35 g/mol. Its IUPAC name is (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID1423205
Molecular FormulaC22H13FN2O6
Molecular Weight420.35 g/mol
Exact Mass420.08
IUPAC Name(1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1
InChIInChI=1S/C22H13FN2O6/c23-13-5-8-17-16(10-13)20(26)18-19(12-3-6-14(7-4-12)25(28)29)24(22(27)21(18)31-17)11-15-2-1-9-30-15/h1-10,19H,11H2/t19-/m0/s1
InChIKeyLKNOZESANXIMFK-IBGZPJMESA-N
XLogP4.18
TPSA106.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-2-[(4-fluorophenyl)methyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810250
1-(4-ethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3399190
1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3723305
(1S)-1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7010738
(1S)-1-(3-chlorophenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2007177
7-chloro-2-(furan-2-ylmethyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4918987
(1S)-7-fluoro-2-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 92951290
(1R)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066651
7-bromo-1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3692045
(1R)-7-bromo-2-(furan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2003196
(1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2001195
7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3750775

Frequently Asked Questions

What is the IUPAC name of (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 1423205) is (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1.
What is the InChIKey of (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LKNOZESANXIMFK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H13FN2O6/c23-13-5-8-17-16(10-13)20(26)18-19(12-3-6-14(7-4-12)25(28)29)24(22(27)21(18)31-17)11-15-2-1-9-30-15/h1-10,19H,11H2/t19-/m0/s1.
What are the key properties of (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 420.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 1423205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).