3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide

C₁₇H₁₈ClNO₂ — CID 18124058

About 3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide

3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide (PubChem CID 18124058) has the molecular formula C₁₇H₁₈ClNO₂ and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: 3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide
• PubChem CID: 18124058
• Molecular Formula: C₁₇H₁₈ClNO₂
• Molecular Weight: 303.79 g/mol
• Exact Mass: 303.10
• IUPAC Name: 3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide
• SMILES: COc1ccccc1NC(=O)CCc1ccc(C)c(Cl)c1
• InChI: InChI=1S/C17H18ClNO2/c1-12-7-8-13(11-14(12)18)9-10-17(20)19-15-5-3-4-6-16(15)21-2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
• InChIKey: GAPQHUJZSJJYFO-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.79
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide?

The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide (CID 18124058) is 3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide.

What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide?

The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCc1ccc(C)c(Cl)c1.

What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide?

The InChIKey is GAPQHUJZSJJYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-7-8-13(11-14(12)18)9-10-17(20)19-15-5-3-4-6-16(15)21-2/h3-8,11H,9-10H2,1-2H3,(H,19,20).

What are the key properties of 3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide?

3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 303.79 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 18124058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 18124058 — identifiers, structure, computed properties (public domain)

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