N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide

C18H19ClN2O3 — CID 108945457

IUPACN'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(=O)NCc1ccccc1C
InChIInChI=1S/C18H19ClN2O3/c1-12-5-3-4-6-13(12)11-20-17(22)10-18(23)21-15-9-14(19)7-8-16(15)24-2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBGYBJEYFNXHBHL-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.30
Rot. Bonds6

About N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide

N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide (PubChem CID 108945457) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide
PubChem CID108945457
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(=O)NCc1ccccc1C
InChIInChI=1S/C18H19ClN2O3/c1-12-5-3-4-6-13(12)11-20-17(22)10-18(23)21-15-9-14(19)7-8-16(15)24-2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBGYBJEYFNXHBHL-UHFFFAOYSA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.30
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

N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945452
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9222379
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113161478
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
CID 108940703
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26582702
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113118487
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 55430628
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
N-(5-chloro-2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 17462179

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide (CID 108945457) is N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide is COc1ccc(Cl)cc1NC(=O)CC(=O)NCc1ccccc1C.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The InChIKey is BGYBJEYFNXHBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-5-3-4-6-13(12)11-20-17(22)10-18(23)21-15-9-14(19)7-8-16(15)24-2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide has a molecular weight of 346.81 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108945457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).