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

C19H20ClFN2O2 — CID 108965063

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCc1ccc(Cl)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H20ClFN2O2/c1-19(2,18(25)23-16-6-4-3-5-15(16)21)17(24)22-12-11-13-7-9-14(20)10-8-13/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRCFMOQZLELOUEO-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.80
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108965063) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
PubChem CID108965063
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCc1ccc(Cl)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H20ClFN2O2/c1-19(2,18(25)23-16-6-4-3-5-15(16)21)17(24)22-12-11-13-7-9-14(20)10-8-13/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRCFMOQZLELOUEO-UHFFFAOYSA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.80
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]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957085
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965035
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963909
N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108965059
N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964098
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963911
N-[2-(4-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108965075
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-prop-2-enylpropanediamide
CID 108957620
N-[(4-chlorophenyl)methyl]-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962819
N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966968
N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 54798222

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide (CID 108965063) is N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)NCCc1ccc(Cl)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is RCFMOQZLELOUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-19(2,18(25)23-16-6-4-3-5-15(16)21)17(24)22-12-11-13-7-9-14(20)10-8-13/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide?
N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 362.83 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108965063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).