2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide

C20H22F2N2O2 — CID 55376253

IUPAC2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide
SMILESCC(C)c1cccc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C20H22F2N2O2/c1-13(2)14-5-3-6-16(11-14)24-19(25)7-4-10-23-20(26)17-9-8-15(21)12-18(17)22/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyHNJMTWXUJODRKD-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.24
Rot. Bonds7

About 2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide

2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide (PubChem CID 55376253) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide
PubChem CID55376253
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide
SMILESCC(C)c1cccc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C20H22F2N2O2/c1-13(2)14-5-3-6-16(11-14)24-19(25)7-4-10-23-20(26)17-9-8-15(21)12-18(17)22/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyHNJMTWXUJODRKD-UHFFFAOYSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide 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-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942
N-[4-(3-chloroanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30449515
N-[4-[3-(ethylaminomethyl)anilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 119438363
2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
CID 30779997
N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 78802707
2,4-difluoro-N-[4-(4-methylsulfanylanilino)-4-oxobutyl]benzamide
CID 27365072
N-[4-[3-(cyanomethoxy)anilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55752228
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]benzoate
CID 30493006
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
N-[4-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55800405
2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931
2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
CID 24625565

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide (CID 55376253) is 2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide is CC(C)c1cccc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of 2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide?
The InChIKey is HNJMTWXUJODRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-13(2)14-5-3-6-16(11-14)24-19(25)7-4-10-23-20(26)17-9-8-15(21)12-18(17)22/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide?
2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide has a molecular weight of 360.40 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide is sourced from PubChem (CID 55376253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).