2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide

C24H24FN3O3 — CID 55897755

IUPAC2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(NCC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1F
InChIInChI=1S/C24H24FN3O3/c1-16-7-9-17(10-8-16)14-27-24(30)19-5-3-4-6-21(19)28-23(29)15-26-18-11-12-22(31-2)20(25)13-18/h3-13,26H,14-15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyFOAKFWUYAUWFMI-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.12
Rot. Bonds8

About 2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide

2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 55897755) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID55897755
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(NCC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1F
InChIInChI=1S/C24H24FN3O3/c1-16-7-9-17(10-8-16)14-27-24(30)19-5-3-4-6-21(19)28-23(29)15-26-18-11-12-22(31-2)20(25)13-18/h3-13,26H,14-15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyFOAKFWUYAUWFMI-UHFFFAOYSA-N
XLogP4.12
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]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-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide
CID 2532138
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide
CID 47064115
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
CID 17320425
methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 47013640
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55759450
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55327835
2-[[2-(3-methoxyphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112787422
2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 40939435
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 26438041
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide
CID 144727901

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (CID 55897755) is 2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is COc1ccc(NCC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1F.
What is the InChIKey of 2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is FOAKFWUYAUWFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-16-7-9-17(10-8-16)14-27-24(30)19-5-3-4-6-21(19)28-23(29)15-26-18-11-12-22(31-2)20(25)13-18/h3-13,26H,14-15H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 421.47 g/mol, XLogP of 4.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 55897755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).