N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide

C18H19ClN2O2 — CID 108946594

IUPACN-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NCc2ccccc2Cl)cc1C
InChIInChI=1S/C18H19ClN2O2/c1-12-7-8-15(9-13(12)2)21-18(23)10-17(22)20-11-14-5-3-4-6-16(14)19/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyULTHNNWQGRTOLI-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.60
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide

N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide (PubChem CID 108946594) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide
PubChem CID108946594
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NCc2ccccc2Cl)cc1C
InChIInChI=1S/C18H19ClN2O2/c1-12-7-8-15(9-13(12)2)21-18(23)10-17(22)20-11-14-5-3-4-6-16(14)19/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyULTHNNWQGRTOLI-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-bromo-3-methylphenyl)-N-[(2-chlorophenyl)methyl]propanediamide
CID 108946659
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
CID 47192222
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540
N-[(2-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108946597
N-[(2-chlorophenyl)methyl]-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108946631
N-(3-amino-4-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 24694774
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677249
2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 18290212
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876
N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945423
[4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-(3,4-dimethylphenyl)carbamate
CID 59778602

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide (CID 108946594) is N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide is Cc1ccc(NC(=O)CC(=O)NCc2ccccc2Cl)cc1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide?
The InChIKey is ULTHNNWQGRTOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-7-8-15(9-13(12)2)21-18(23)10-17(22)20-11-14-5-3-4-6-16(14)19/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide?
N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)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-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide is sourced from PubChem (CID 108946594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).