5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

C20H16FN3O — CID 175592071

IUPAC5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(NCc3ccc(F)cc3)cc2C1=Cc1ccc[nH]1
InChIInChI=1S/C20H16FN3O/c21-14-5-3-13(4-6-14)12-23-16-7-8-19-17(10-16)18(20(25)24-19)11-15-2-1-9-22-15/h1-11,22-23H,12H2,(H,24,25)
InChIKeyMKZYONWSQJFPIG-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.26
Rot. Bonds4

About 5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 175592071) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
PubChem CID175592071
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(NCc3ccc(F)cc3)cc2C1=Cc1ccc[nH]1
InChIInChI=1S/C20H16FN3O/c21-14-5-3-13(4-6-14)12-23-16-7-8-19-17(10-16)18(20(25)24-19)11-15-2-1-9-22-15/h1-11,22-23H,12H2,(H,24,25)
InChIKeyMKZYONWSQJFPIG-UHFFFAOYSA-N
XLogP4.26
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.26
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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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (CID 175592071) is 5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(NCc3ccc(F)cc3)cc2C1=Cc1ccc[nH]1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is MKZYONWSQJFPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c21-14-5-3-13(4-6-14)12-23-16-7-8-19-17(10-16)18(20(25)24-19)11-15-2-1-9-22-15/h1-11,22-23H,12H2,(H,24,25).
What are the key properties of 5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 333.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 175592071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).