N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide

C21H25FN2O2 — CID 108964083

IUPACN-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCCc1ccc(NC(=O)C(C)(C)C(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C21H25FN2O2/c1-4-15-9-11-17(12-10-15)24-20(26)21(2,3)19(25)23-14-13-16-7-5-6-8-18(16)22/h5-12H,4,13-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyOHNYZEGYIIRHEF-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.71
Rot. Bonds7

About N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide

N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108964083) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108964083
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCCc1ccc(NC(=O)C(C)(C)C(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C21H25FN2O2/c1-4-15-9-11-17(12-10-15)24-20(26)21(2,3)19(25)23-14-13-16-7-5-6-8-18(16)22/h5-12H,4,13-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyOHNYZEGYIIRHEF-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
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-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108965059
3-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024693
3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055398
N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108957863
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963012
N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide
CID 108957212
N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966385
N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964098
N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962820
2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide
CID 79797317
methyl 4-[[3-[2-(4-fluorophenyl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108964231
N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide
CID 108964965

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide (CID 108964083) is N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide is CCc1ccc(NC(=O)C(C)(C)C(=O)NCCc2ccccc2F)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is OHNYZEGYIIRHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-4-15-9-11-17(12-10-15)24-20(26)21(2,3)19(25)23-14-13-16-7-5-6-8-18(16)22/h5-12H,4,13-14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 356.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108964083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).