N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide

C23H18FN3O — CID 155667168

IUPACN-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2c3ccc(-c4cccc(F)c4)cc3nn2C)cc1
InChIInChI=1S/C23H18FN3O/c1-3-22(28)25-19-10-7-15(8-11-19)23-20-12-9-17(14-21(20)26-27(23)2)16-5-4-6-18(24)13-16/h3-14H,1H2,2H3,(H,25,28)
InChIKeyKFAIBBBEFWUGSD-UHFFFAOYSA-N
MW371.42 g/mol
LogP5.17
Rot. Bonds4

About N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide

N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide (PubChem CID 155667168) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide
PubChem CID155667168
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC NameN-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2c3ccc(-c4cccc(F)c4)cc3nn2C)cc1
InChIInChI=1S/C23H18FN3O/c1-3-22(28)25-19-10-7-15(8-11-19)23-20-12-9-17(14-21(20)26-27(23)2)16-5-4-6-18(24)13-16/h3-14H,1H2,2H3,(H,25,28)
InChIKeyKFAIBBBEFWUGSD-UHFFFAOYSA-N
XLogP5.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide (CID 155667168) is N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-c2c3ccc(-c4cccc(F)c4)cc3nn2C)cc1.
What is the InChIKey of N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide?
The InChIKey is KFAIBBBEFWUGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c1-3-22(28)25-19-10-7-15(8-11-19)23-20-12-9-17(14-21(20)26-27(23)2)16-5-4-6-18(24)13-16/h3-14H,1H2,2H3,(H,25,28).
What are the key properties of N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide?
N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide has a molecular weight of 371.42 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 155667168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).