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

C20H22ClFN2O2 — CID 108969220

IUPACN-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C20H22ClFN2O2/c1-5-24(15-8-6-7-13(2)11-15)19(26)20(3,4)18(25)23-14-9-10-17(22)16(21)12-14/h6-12H,5H2,1-4H3,(H,23,25)
InChIKeyVIGUBWBIFZKSSZ-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.81
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide (PubChem CID 108969220) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
PubChem CID108969220
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C20H22ClFN2O2/c1-5-24(15-8-6-7-13(2)11-15)19(26)20(3,4)18(25)23-14-9-10-17(22)16(21)12-14/h6-12H,5H2,1-4H3,(H,23,25)
InChIKeyVIGUBWBIFZKSSZ-UHFFFAOYSA-N
XLogP4.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.81
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-(4-chlorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969024
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970173
N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969447
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108969620
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967923
3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108992795
N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide
CID 108968333
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957363
N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108962651
N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969573
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113172485

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide (CID 108969220) is N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide is CCN(C(=O)C(C)(C)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The InChIKey is VIGUBWBIFZKSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-5-24(15-8-6-7-13(2)11-15)19(26)20(3,4)18(25)23-14-9-10-17(22)16(21)12-14/h6-12H,5H2,1-4H3,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide has a molecular weight of 376.86 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide is sourced from PubChem (CID 108969220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).