N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide

C20H23FN2O2 — CID 108964178

IUPACN-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
SMILESCc1cccc(NC(=O)C(C)(C)C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O2/c1-14-5-4-6-17(13-14)23-19(25)20(2,3)18(24)22-12-11-15-7-9-16(21)10-8-15/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRXWQBWPYQNTTGF-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide

N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide (PubChem CID 108964178) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
PubChem CID108964178
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
SMILESCc1cccc(NC(=O)C(C)(C)C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O2/c1-14-5-4-6-17(13-14)23-19(25)20(2,3)18(24)22-12-11-15-7-9-16(21)10-8-15/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRXWQBWPYQNTTGF-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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-(3-acetylphenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964225
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961824
N-(3-cyanophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964248
N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964253
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
methyl 4-[[3-[2-(4-fluorophenyl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108964231
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964406
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714
4-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109214200
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109351026
6-[2-(4-fluorophenyl)ethylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109371899

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide (CID 108964178) is N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide is Cc1cccc(NC(=O)C(C)(C)C(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The InChIKey is RXWQBWPYQNTTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14-5-4-6-17(13-14)23-19(25)20(2,3)18(24)22-12-11-15-7-9-16(21)10-8-15/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide has a molecular weight of 342.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide is sourced from PubChem (CID 108964178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).