N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide

C20H21F3N2O2 — CID 108968426

IUPACN-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
SMILESCCc1cccc(C)c1NC(=O)C(C)(C)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H21F3N2O2/c1-5-12-8-6-7-11(2)17(12)25-19(27)20(3,4)18(26)24-14-10-9-13(21)15(22)16(14)23/h6-10H,5H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyBIEKYTPAOASJGA-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.58
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide

N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide (PubChem CID 108968426) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
PubChem CID108968426
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
SMILESCCc1cccc(C)c1NC(=O)C(C)(C)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H21F3N2O2/c1-5-12-8-6-7-11(2)17(12)25-19(27)20(3,4)18(26)24-14-10-9-13(21)15(22)16(14)23/h6-10H,5H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyBIEKYTPAOASJGA-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.58
H-Bond Donors ≤ 52
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-ethyl-6-methylphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108954255
N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108965978
3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82814205
methyl 3-[[3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108968411
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966271
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962022
N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108966096
N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108966502
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970173
N-(4-tert-butylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108968690
1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108991584
N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962937

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide (CID 108968426) is N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide is CCc1cccc(C)c1NC(=O)C(C)(C)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide?
The InChIKey is BIEKYTPAOASJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-5-12-8-6-7-11(2)17(12)25-19(27)20(3,4)18(26)24-14-10-9-13(21)15(22)16(14)23/h6-10H,5H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide?
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide has a molecular weight of 378.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide is sourced from PubChem (CID 108968426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).