N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide

C19H21ClN2O2 — CID 108945626

IUPACN'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
SMILESCc1cccc(CNC(=O)CC(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-5-4-6-15(8-12)11-21-17(23)10-18(24)22-19-14(3)7-13(2)9-16(19)20/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNAIYMNWAVJUYJI-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.91
Rot. Bonds5

About N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide

N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide (PubChem CID 108945626) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
PubChem CID108945626
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
SMILESCc1cccc(CNC(=O)CC(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-5-4-6-15(8-12)11-21-17(23)10-18(24)22-19-14(3)7-13(2)9-16(19)20/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNAIYMNWAVJUYJI-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.91
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'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945602
N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108946756
N-[(3-methylphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108996939
N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946925
N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108984747
1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898402
N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide
CID 108941280
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113155019
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide
CID 108945653
N-(4-bromophenyl)-N'-(2-chloro-4,6-dimethylphenyl)propanediamide
CID 108955337
N'-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945616

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide?
The IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide (CID 108945626) is N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide?
The canonical SMILES for N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide is Cc1cccc(CNC(=O)CC(=O)Nc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide?
The InChIKey is NAIYMNWAVJUYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-5-4-6-15(8-12)11-21-17(23)10-18(24)22-19-14(3)7-13(2)9-16(19)20/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide?
N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide has a molecular weight of 344.84 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108945626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).