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

C20H22ClFN2O2 — CID 108964098

IUPACN-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)(C)C(=O)NCCc1ccccc1F
InChIInChI=1S/C20H22ClFN2O2/c1-13-12-15(21)8-9-17(13)24-19(26)20(2,3)18(25)23-11-10-14-6-4-5-7-16(14)22/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRKFQNNAHKISCCF-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.11
Rot. Bonds6

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

N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108964098) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108964098
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC NameN-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)(C)C(=O)NCCc1ccccc1F
InChIInChI=1S/C20H22ClFN2O2/c1-13-12-15(21)8-9-17(13)24-19(26)20(2,3)18(25)23-11-10-14-6-4-5-7-16(14)22/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRKFQNNAHKISCCF-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.11
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-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964304
N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962504
N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
CID 108965063
N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948290
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963909
N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962427
N-(4-chloro-2-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236369
N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964083
N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966968
N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide
CID 108957212
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963414
1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea
CID 108900542

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide (CID 108964098) is N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide is Cc1cc(Cl)ccc1NC(=O)C(C)(C)C(=O)NCCc1ccccc1F.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is RKFQNNAHKISCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-13-12-15(21)8-9-17(13)24-19(26)20(2,3)18(25)23-11-10-14-6-4-5-7-16(14)22/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 376.86 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108964098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).