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

C21H25FN2O2 — CID 108962651

IUPACN-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)NCc1ccc(F)cc1)c1cccc(C)c1
InChIInChI=1S/C21H25FN2O2/c1-5-24(18-8-6-7-15(2)13-18)20(26)21(3,4)19(25)23-14-16-9-11-17(22)12-10-16/h6-13H,5,14H2,1-4H3,(H,23,25)
InChIKeyPWNJLYGARGSSOD-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.83
Rot. Bonds6

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

N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide (PubChem CID 108962651) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide
PubChem CID108962651
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)NCc1ccc(F)cc1)c1cccc(C)c1
InChIInChI=1S/C21H25FN2O2/c1-5-24(18-8-6-7-15(2)13-18)20(26)21(3,4)19(25)23-14-16-9-11-17(22)12-10-16/h6-13H,5,14H2,1-4H3,(H,23,25)
InChIKeyPWNJLYGARGSSOD-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
4-N-ethyl-1-N-[(4-fluorophenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148470
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957363
N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109211612
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970173
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961824
N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967923
N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969220
3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108899566
N-(4-chlorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969024
N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28635475
(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid
CID 90875734

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide?
The IUPAC name of N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide (CID 108962651) is N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide.
What is the SMILES notation for N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide?
The canonical SMILES for N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide is CCN(C(=O)C(C)(C)C(=O)NCc1ccc(F)cc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide?
The InChIKey is PWNJLYGARGSSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-5-24(18-8-6-7-15(2)13-18)20(26)21(3,4)19(25)23-14-16-9-11-17(22)12-10-16/h6-13H,5,14H2,1-4H3,(H,23,25).
What are the key properties of N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide?
N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide has a molecular weight of 356.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide is sourced from PubChem (CID 108962651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).