N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide

C20H23FN2O2 — CID 108961810

IUPACN-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
SMILESCc1cccc(CNC(=O)C(C)(C)C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C20H23FN2O2/c1-14-7-6-8-15(11-14)12-22-18(24)20(2,3)19(25)23-13-16-9-4-5-10-17(16)21/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLBCZNCVDZWOXFB-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.09
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide

N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide (PubChem CID 108961810) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
PubChem CID108961810
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
SMILESCc1cccc(CNC(=O)C(C)(C)C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C20H23FN2O2/c1-14-7-6-8-15(11-14)12-22-18(24)20(2,3)19(25)23-13-16-9-4-5-10-17(16)21/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLBCZNCVDZWOXFB-UHFFFAOYSA-N
XLogP3.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 33280259
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961824
2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 82109819
N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962427
N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255942
2-methyl-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 62847250
N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962505
2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958363
3-chloro-2,2-dimethyl-N-[(3-methylphenyl)methyl]propanamide
CID 63680580
N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
CID 108962767

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide (CID 108961810) is N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide is Cc1cccc(CNC(=O)C(C)(C)C(=O)NCc2ccccc2F)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide?
The InChIKey is LBCZNCVDZWOXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14-7-6-8-15(11-14)12-22-18(24)20(2,3)19(25)23-13-16-9-4-5-10-17(16)21/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide?
N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide has a molecular weight of 342.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108961810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).