N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide

C20H23FN2O4 — CID 108962476

IUPACN-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)NCc2ccccc2F)c(OC)c1
InChIInChI=1S/C20H23FN2O4/c1-20(2,18(24)22-12-13-7-5-6-8-15(13)21)19(25)23-16-10-9-14(26-3)11-17(16)27-4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyPLYGCQCKPFITII-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.12
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide

N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide (PubChem CID 108962476) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
PubChem CID108962476
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)NCc2ccccc2F)c(OC)c1
InChIInChI=1S/C20H23FN2O4/c1-20(2,18(24)22-12-13-7-5-6-8-15(13)21)19(25)23-16-10-9-14(26-3)11-17(16)27-4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyPLYGCQCKPFITII-UHFFFAOYSA-N
XLogP3.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide 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-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962967
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961763
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967272
N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962504
N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969640
N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide
CID 112987949
N-(5-chloro-2-methoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962957
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963012
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962505
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)acetamide
CID 1228251
2-(2,4-dimethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170430

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide (CID 108962476) is N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide is COc1ccc(NC(=O)C(C)(C)C(=O)NCc2ccccc2F)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The InChIKey is PLYGCQCKPFITII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-20(2,18(24)22-12-13-7-5-6-8-15(13)21)19(25)23-16-10-9-14(26-3)11-17(16)27-4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide has a molecular weight of 374.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108962476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).