N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide

C18H18FN3O — CID 122176580

IUPACN-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1ccc(F)cc1)n1ncc2ccccc21
InChIInChI=1S/C18H18FN3O/c1-2-16(22-17-6-4-3-5-14(17)12-21-22)18(23)20-11-13-7-9-15(19)10-8-13/h3-10,12,16H,2,11H2,1H3,(H,20,23)
InChIKeyFGZZRJKMEHPDEG-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.44
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide

N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide (PubChem CID 122176580) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide
PubChem CID122176580
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1ccc(F)cc1)n1ncc2ccccc21
InChIInChI=1S/C18H18FN3O/c1-2-16(22-17-6-4-3-5-14(17)12-21-22)18(23)20-11-13-7-9-15(19)10-8-13/h3-10,12,16H,2,11H2,1H3,(H,20,23)
InChIKeyFGZZRJKMEHPDEG-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide (CID 122176580) is N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide is CCC(C(=O)NCc1ccc(F)cc1)n1ncc2ccccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide?
The InChIKey is FGZZRJKMEHPDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-2-16(22-17-6-4-3-5-14(17)12-21-22)18(23)20-11-13-7-9-15(19)10-8-13/h3-10,12,16H,2,11H2,1H3,(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide?
N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide has a molecular weight of 311.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide is sourced from PubChem (CID 122176580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).