N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide

C20H23FN2O2 — CID 33036873

IUPACN-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CCc2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O2/c1-14(2)12-20(25)23-18-9-7-17(8-10-18)22-19(24)11-6-15-4-3-5-16(21)13-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGYYJHZZOZNBRFT-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.38
Rot. Bonds7

About N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide

N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide (PubChem CID 33036873) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide
PubChem CID33036873
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CCc2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O2/c1-14(2)12-20(25)23-18-9-7-17(8-10-18)22-19(24)11-6-15-4-3-5-16(21)13-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGYYJHZZOZNBRFT-UHFFFAOYSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 54795255
3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 36590991
N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide
CID 41483845
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
CID 54839278
tert-butyl N-[2-[4-[3-(3-fluorophenyl)propanoylamino]anilino]-2-oxoethyl]carbamate
CID 108917037
[3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927732
3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
CID 33034707
3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide
CID 97078263
3-(3-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]propanamide
CID 97078264
3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 51725488
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide (CID 33036873) is N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(NC(=O)CCc2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide?
The InChIKey is GYYJHZZOZNBRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14(2)12-20(25)23-18-9-7-17(8-10-18)22-19(24)11-6-15-4-3-5-16(21)13-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide?
N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide has a molecular weight of 342.41 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 33036873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).