N-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide

C20H21FN2O — CID 22522928

IUPACN-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide
SMILESCn1cc(CCCC(=O)NCc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C20H21FN2O/c1-23-14-16(18-9-2-3-10-19(18)23)7-5-11-20(24)22-13-15-6-4-8-17(21)12-15/h2-4,6,8-10,12,14H,5,7,11,13H2,1H3,(H,22,24)
InChIKeyOIOLRGLNBXHPBJ-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.96
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide

N-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide (PubChem CID 22522928) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide
PubChem CID22522928
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC NameN-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide
SMILESCn1cc(CCCC(=O)NCc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C20H21FN2O/c1-23-14-16(18-9-2-3-10-19(18)23)7-5-11-20(24)22-13-15-6-4-8-17(21)12-15/h2-4,6,8-10,12,14H,5,7,11,13H2,1H3,(H,22,24)
InChIKeyOIOLRGLNBXHPBJ-UHFFFAOYSA-N
XLogP3.96
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide 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-(1-methylindol-3-yl)butanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide (CID 22522928) is N-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide is Cn1cc(CCCC(=O)NCc2cccc(F)c2)c2ccccc21.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide?
The InChIKey is OIOLRGLNBXHPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-23-14-16(18-9-2-3-10-19(18)23)7-5-11-20(24)22-13-15-6-4-8-17(21)12-15/h2-4,6,8-10,12,14H,5,7,11,13H2,1H3,(H,22,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide?
N-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide has a molecular weight of 324.40 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-(1-methylindol-3-yl)butanamide is sourced from PubChem (CID 22522928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).