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

C21H25FN2O2 — CID 108961824

IUPACN-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
SMILESCc1cccc(CNC(=O)C(C)(C)C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C21H25FN2O2/c1-15-5-4-6-17(13-15)14-24-20(26)21(2,3)19(25)23-12-11-16-7-9-18(22)10-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGNYZWAUFQFBVAE-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.14
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide (PubChem CID 108961824) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
PubChem CID108961824
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
SMILESCc1cccc(CNC(=O)C(C)(C)C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C21H25FN2O2/c1-15-5-4-6-17(13-15)14-24-20(26)21(2,3)19(25)23-12-11-16-7-9-18(22)10-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGNYZWAUFQFBVAE-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.14
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-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108964178
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108959301
N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961810
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993407
4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210175
N-(3-acetylphenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964225
N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108962651
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
1-N-[(4-fluorophenyl)methyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975053

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide (CID 108961824) is N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide is Cc1cccc(CNC(=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)methyl]propanediamide?
The InChIKey is GNYZWAUFQFBVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-15-5-4-6-17(13-15)14-24-20(26)21(2,3)19(25)23-12-11-16-7-9-18(22)10-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide?
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide has a molecular weight of 356.44 g/mol, XLogP of 3.14, 7 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)methyl]propanediamide is sourced from PubChem (CID 108961824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).