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

C18H18Cl2N2O2 — CID 108962718

IUPACN-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-18(2,17(24)22-14-8-5-7-13(19)10-14)16(23)21-11-12-6-3-4-9-15(12)20/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXRNJIBYSZACFLY-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.27
Rot. Bonds5

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

N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide (PubChem CID 108962718) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
PubChem CID108962718
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-18(2,17(24)22-14-8-5-7-13(19)10-14)16(23)21-11-12-6-3-4-9-15(12)20/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXRNJIBYSZACFLY-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.27
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

1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968198
N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
CID 108962767
methyl 4-[[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108962747
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
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]thiourea
CID 5017956
N-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54835394
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide
CID 108962686
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962769
N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967452
N-(3,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962989

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide (CID 108962718) is N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide is CC(C)(C(=O)NCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide?
The InChIKey is XRNJIBYSZACFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-18(2,17(24)22-14-8-5-7-13(19)10-14)16(23)21-11-12-6-3-4-9-15(12)20/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide?
N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide has a molecular weight of 365.26 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108962718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).