N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide

C20H22ClFN2O2 — CID 108962427

IUPACN-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCc1cccc(Cl)c1)C(=O)NCc1ccccc1F
InChIInChI=1S/C20H22ClFN2O2/c1-20(2,19(26)24-13-15-7-3-4-9-17(15)22)18(25)23-11-10-14-6-5-8-16(21)12-14/h3-9,12H,10-11,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRVWQAXCQQUZQLW-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.48
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide

N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide (PubChem CID 108962427) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
PubChem CID108962427
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCc1cccc(Cl)c1)C(=O)NCc1ccccc1F
InChIInChI=1S/C20H22ClFN2O2/c1-20(2,19(26)24-13-15-7-3-4-9-17(15)22)18(25)23-11-10-14-6-5-8-16(21)12-14/h3-9,12H,10-11,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRVWQAXCQQUZQLW-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.48
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-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962505
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961810
N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966968
N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962504
5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189383
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977360
N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959695
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108961228
N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108966948
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide (CID 108962427) is N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide is CC(C)(C(=O)NCCc1cccc(Cl)c1)C(=O)NCc1ccccc1F.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The InChIKey is RVWQAXCQQUZQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-20(2,19(26)24-13-15-7-3-4-9-17(15)22)18(25)23-11-10-14-6-5-8-16(21)12-14/h3-9,12H,10-11,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide has a molecular weight of 376.86 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108962427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).