N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide

C18H17Cl2FN2O2 — CID 108962504

IUPACN-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccccc1F)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2FN2O2/c1-18(2,16(24)22-10-11-5-3-4-6-14(11)21)17(25)23-15-9-12(19)7-8-13(15)20/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPWGWUKDSKLNGSJ-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.41
Rot. Bonds5

About N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide

N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide (PubChem CID 108962504) has the molecular formula C18H17Cl2FN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
PubChem CID108962504
Molecular FormulaC18H17Cl2FN2O2
Molecular Weight383.25 g/mol
Exact Mass382.07
IUPAC NameN-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccccc1F)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2FN2O2/c1-18(2,16(24)22-10-11-5-3-4-6-14(11)21)17(25)23-15-9-12(19)7-8-13(15)20/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPWGWUKDSKLNGSJ-UHFFFAOYSA-N
XLogP4.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.41
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-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
CID 108962767
N-(5-chloro-2-methoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962957
N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962427
N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964098
N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962476
N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966461
N-(2,5-dichlorophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960336
N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962718
N-benzyl-N'-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanediamide
CID 108961616
2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 82109819
N-[(4-chlorophenyl)methyl]-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962819

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide (CID 108962504) is N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide is CC(C)(C(=O)NCc1ccccc1F)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The InChIKey is PWGWUKDSKLNGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O2/c1-18(2,16(24)22-10-11-5-3-4-6-14(11)21)17(25)23-15-9-12(19)7-8-13(15)20/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide has a molecular weight of 383.25 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108962504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).