N-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide

C19H18FN3O2 — CID 22510356

IUPACN-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide
SMILESCc1nn(C(=O)CCC(=O)NCc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C19H18FN3O2/c1-13-16-7-2-3-8-17(16)23(22-13)19(25)10-9-18(24)21-12-14-5-4-6-15(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,21,24)
InChIKeySFUBHJJDMWEXDG-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.22
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide

N-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide (PubChem CID 22510356) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide
PubChem CID22510356
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide
SMILESCc1nn(C(=O)CCC(=O)NCc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C19H18FN3O2/c1-13-16-7-2-3-8-17(16)23(22-13)19(25)10-9-18(24)21-12-14-5-4-6-15(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,21,24)
InChIKeySFUBHJJDMWEXDG-UHFFFAOYSA-N
XLogP3.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide (CID 22510356) is N-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide is Cc1nn(C(=O)CCC(=O)NCc2cccc(F)c2)c2ccccc12.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide?
The InChIKey is SFUBHJJDMWEXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-16-7-2-3-8-17(16)23(22-13)19(25)10-9-18(24)21-12-14-5-4-6-15(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,21,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide?
N-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide has a molecular weight of 339.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-(3-methylindazol-1-yl)-4-oxobutanamide is sourced from PubChem (CID 22510356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).