N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide

C23H22F2N2O3 — CID 142928445

IUPACN-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide
SMILESCOc1ccc(NCc2ccc(C(=O)Nc3cc(F)c(F)cc3C)cc2)cc1OC
InChIInChI=1S/C23H22F2N2O3/c1-14-10-18(24)19(25)12-20(14)27-23(28)16-6-4-15(5-7-16)13-26-17-8-9-21(29-2)22(11-17)30-3/h4-12,26H,13H2,1-3H3,(H,27,28)
InChIKeyGXNXRLYGLMHLQW-UHFFFAOYSA-N
MW412.44 g/mol
LogP5.15
Rot. Bonds7

About N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide

N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide (PubChem CID 142928445) has the molecular formula C23H22F2N2O3 and a molecular weight of 412.44 g/mol. Its IUPAC name is N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide
PubChem CID142928445
Molecular FormulaC23H22F2N2O3
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC NameN-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide
SMILESCOc1ccc(NCc2ccc(C(=O)Nc3cc(F)c(F)cc3C)cc2)cc1OC
InChIInChI=1S/C23H22F2N2O3/c1-14-10-18(24)19(25)12-20(14)27-23(28)16-6-4-15(5-7-16)13-26-17-8-9-21(29-2)22(11-17)30-3/h4-12,26H,13H2,1-3H3,(H,27,28)
InChIKeyGXNXRLYGLMHLQW-UHFFFAOYSA-N
XLogP5.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.44
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)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

4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxyphenyl)benzamide
CID 10110195
4-[(3,4-dimethoxyanilino)methyl]benzohydrazide
CID 70810026
4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 59736811
4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide
CID 114838796
4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
CID 43380800
N-(3,4-dimethoxyphenyl)-4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]benzamide
CID 17469437
N-[2-amino-5-(3-amino-3-oxoprop-1-enyl)phenyl]-4-[(3,4-dimethoxyanilino)methyl]benzamide
CID 66893261
4-[(3,4-dimethoxyanilino)methyl]-N-[5-[(dimethylamino)methyl]-2-nitrophenyl]benzamide
CID 70810004
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 26704671
N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 7751072
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317

Frequently Asked Questions

What is the IUPAC name of N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide?
The IUPAC name of N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide (CID 142928445) is N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide.
What is the SMILES notation for N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide?
The canonical SMILES for N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide is COc1ccc(NCc2ccc(C(=O)Nc3cc(F)c(F)cc3C)cc2)cc1OC.
What is the InChIKey of N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide?
The InChIKey is GXNXRLYGLMHLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3/c1-14-10-18(24)19(25)12-20(14)27-23(28)16-6-4-15(5-7-16)13-26-17-8-9-21(29-2)22(11-17)30-3/h4-12,26H,13H2,1-3H3,(H,27,28).
What are the key properties of N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide?
N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide has a molecular weight of 412.44 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide is sourced from PubChem (CID 142928445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).