N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide

C20H21F3N2O2 — CID 108970173

IUPACN-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1ccc(F)c(F)c1F)c1cccc(C)c1
InChIInChI=1S/C20H21F3N2O2/c1-5-25(13-8-6-7-12(2)11-13)19(27)20(3,4)18(26)24-15-10-9-14(21)16(22)17(15)23/h6-11H,5H2,1-4H3,(H,24,26)
InChIKeyOJAAIUAEXYTXLD-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.43
Rot. Bonds5

About N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide

N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide (PubChem CID 108970173) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
PubChem CID108970173
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1ccc(F)c(F)c1F)c1cccc(C)c1
InChIInChI=1S/C20H21F3N2O2/c1-5-25(13-8-6-7-12(2)11-13)19(27)20(3,4)18(26)24-15-10-9-14(21)16(22)17(15)23/h6-11H,5H2,1-4H3,(H,24,26)
InChIKeyOJAAIUAEXYTXLD-UHFFFAOYSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967923
N-(4-chlorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969024
N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969220
N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969573
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957363
N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969447
N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108962651
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108969620
3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108961312
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108992795
2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
CID 79805432

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide?
The IUPAC name of N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide (CID 108970173) is N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide is CCN(C(=O)C(C)(C)C(=O)Nc1ccc(F)c(F)c1F)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide?
The InChIKey is OJAAIUAEXYTXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-5-25(13-8-6-7-12(2)11-13)19(27)20(3,4)18(26)24-15-10-9-14(21)16(22)17(15)23/h6-11H,5H2,1-4H3,(H,24,26).
What are the key properties of N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide?
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide has a molecular weight of 378.39 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide is sourced from PubChem (CID 108970173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).