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

C19H21ClN2O3 — CID 108946925

IUPACN'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-12-8-13(2)19(15(20)9-12)22-18(24)10-17(23)21-11-14-6-4-5-7-16(14)25-3/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLOXDNRUJIOKMNB-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.61
Rot. Bonds6

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

N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide (PubChem CID 108946925) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
PubChem CID108946925
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-12-8-13(2)19(15(20)9-12)22-18(24)10-17(23)21-11-14-6-4-5-7-16(14)25-3/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLOXDNRUJIOKMNB-UHFFFAOYSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976230
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025421
N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946920
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113164583
N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945626
N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946965
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998293
5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234228
3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025293
methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946951
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
1-N-[(2-methoxyphenyl)methyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976215

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide (CID 108946925) is N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The canonical SMILES for N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide is COc1ccccc1CNC(=O)CC(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The InChIKey is LOXDNRUJIOKMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12-8-13(2)19(15(20)9-12)22-18(24)10-17(23)21-11-14-6-4-5-7-16(14)25-3/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-[(2-methoxyphenyl)methyl]propanediamide?
N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide has a molecular weight of 360.84 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide is sourced from PubChem (CID 108946925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).