5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

C19H13FN2O2 — CID 54071594

IUPAC5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(F)c(-c3ccc(O)cc3)c2C1=Cc1ccc[nH]1
InChIInChI=1S/C19H13FN2O2/c20-15-7-8-16-18(17(15)11-3-5-13(23)6-4-11)14(19(24)22-16)10-12-2-1-9-21-12/h1-10,21,23H,(H,22,24)
InChIKeyMGVFJSXWBTWOSV-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.02
Rot. Bonds2

About 5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 54071594) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
PubChem CID54071594
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(F)c(-c3ccc(O)cc3)c2C1=Cc1ccc[nH]1
InChIInChI=1S/C19H13FN2O2/c20-15-7-8-16-18(17(15)11-3-5-13(23)6-4-11)14(19(24)22-16)10-12-2-1-9-21-12/h1-10,21,23H,(H,22,24)
InChIKeyMGVFJSXWBTWOSV-UHFFFAOYSA-N
XLogP4.02
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 18363885
(3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 59971441
(3Z)-5-[2-(3-hydroxyphenyl)ethynyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 10268240
4-(2,6-difluorophenyl)phenol
CID 53218545
2-[3-[(3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]anilino]acetamide
CID 18363921
5-[(2,5-difluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 175592085
2-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]guanidine
CID 57110227
(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one
CID 66556399
4-ethynyl-5-pyridin-2-yl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 54260131
(3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 73387184
1-(4-fluorophenyl)-2-oxo-N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-4-yl]pyridine-3-carboxamide
CID 71815388
(3Z)-5-nitro-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 10658651

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (CID 54071594) is 5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(F)c(-c3ccc(O)cc3)c2C1=Cc1ccc[nH]1.
What is the InChIKey of 5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is MGVFJSXWBTWOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2/c20-15-7-8-16-18(17(15)11-3-5-13(23)6-4-11)14(19(24)22-16)10-12-2-1-9-21-12/h1-10,21,23H,(H,22,24).
What are the key properties of 5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 320.32 g/mol, XLogP of 4.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-hydroxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 54071594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).