N-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide

C23H20FN3O — CID 20877643

IUPACN-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide
SMILESCC(C(=O)NCc1ccccc1F)n1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C23H20FN3O/c1-16(23(28)25-15-18-11-5-7-13-20(18)24)27-21-14-8-6-12-19(21)22(26-27)17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,25,28)
InChIKeyVWUNKULTMKVOSD-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.72
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide

N-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide (PubChem CID 20877643) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide
PubChem CID20877643
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide
SMILESCC(C(=O)NCc1ccccc1F)n1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C23H20FN3O/c1-16(23(28)25-15-18-11-5-7-13-20(18)24)27-21-14-8-6-12-19(21)22(26-27)17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,25,28)
InChIKeyVWUNKULTMKVOSD-UHFFFAOYSA-N
XLogP4.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide (CID 20877643) is N-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide is CC(C(=O)NCc1ccccc1F)n1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide?
The InChIKey is VWUNKULTMKVOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-16(23(28)25-15-18-11-5-7-13-20(18)24)27-21-14-8-6-12-19(21)22(26-27)17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,25,28).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide?
N-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide has a molecular weight of 373.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide is sourced from PubChem (CID 20877643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).