N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide

C18H19ClN2O2 — CID 108945452

IUPACN'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
SMILESCc1ccccc1CNC(=O)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C18H19ClN2O2/c1-12-5-3-4-6-14(12)11-20-17(22)10-18(23)21-16-8-7-15(19)9-13(16)2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWIHZRVCUFZVXHI-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.60
Rot. Bonds5

About N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide

N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide (PubChem CID 108945452) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
PubChem CID108945452
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
SMILESCc1ccccc1CNC(=O)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C18H19ClN2O2/c1-12-5-3-4-6-14(12)11-20-17(22)10-18(23)21-16-8-7-15(19)9-13(16)2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWIHZRVCUFZVXHI-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.60
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-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996571
N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945457
N'-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945445
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(2,4-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996624
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306
N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945471
N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945423
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108945478
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255747

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide (CID 108945452) is N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide is Cc1ccccc1CNC(=O)CC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The InChIKey is WIHZRVCUFZVXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-5-3-4-6-14(12)11-20-17(22)10-18(23)21-16-8-7-15(19)9-13(16)2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide has a molecular weight of 330.82 g/mol, XLogP of 3.60, 5 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-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108945452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).