N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide

C18H17Cl2FN2O2 — CID 108962505

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

About N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide

N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide (PubChem CID 108962505) has the molecular formula C18H17Cl2FN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
PubChem CID108962505
Molecular FormulaC18H17Cl2FN2O2
Molecular Weight383.25 g/mol
Exact Mass382.07
IUPAC NameN-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccccc1F)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H17Cl2FN2O2/c1-18(2,16(24)22-10-11-5-3-4-6-15(11)21)17(25)23-14-8-12(19)7-13(20)9-14/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMNJDBZDOAIQRCT-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-(2,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962504
N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962427
N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
CID 108962767
N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962718
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962497
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963474
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963911
2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 82109819
N-[(2-fluorophenyl)methyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961810
N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961727
N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962476
N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide
CID 108962863

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide (CID 108962505) is N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide is CC(C)(C(=O)NCc1ccccc1F)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The InChIKey is MNJDBZDOAIQRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O2/c1-18(2,16(24)22-10-11-5-3-4-6-15(11)21)17(25)23-14-8-12(19)7-13(20)9-14/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
N-(3,5-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-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108962505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).