N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide

C19H21ClN2O2 — CID 108967805

IUPACN-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-8-9-16(13(2)10-12)22-18(24)19(3,4)17(23)21-15-7-5-6-14(20)11-15/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChIKeyKCAFYAFBYLPETB-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.56
Rot. Bonds4

About N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide

N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108967805) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108967805
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-8-9-16(13(2)10-12)22-18(24)19(3,4)17(23)21-15-7-5-6-14(20)11-15/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChIKeyKCAFYAFBYLPETB-UHFFFAOYSA-N
XLogP4.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.56
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-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967452
N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108968527
N-(3-chloro-4-methylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967810
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967412
N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968198
N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967830
N-(2,6-difluorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967857
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967416
methyl 4-[[3-(2,4-dimethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108967835
N-(1,3-benzodioxol-5-yl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967844
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108969119
N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108967800

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide (CID 108967805) is N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2)c(C)c1.
What is the InChIKey of N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is KCAFYAFBYLPETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-8-9-16(13(2)10-12)22-18(24)19(3,4)17(23)21-15-7-5-6-14(20)11-15/h5-11H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide?
N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 344.84 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108967805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).