N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide

C22H20ClNO2 — CID 19174143

IUPACN-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
SMILESCc1ccc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)cc1
InChIInChI=1S/C22H20ClNO2/c1-15-3-5-17(6-4-15)18-7-10-20(11-8-18)26-14-22(25)24-21-12-9-19(23)13-16(21)2/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyJFIAYDGXIRRMMM-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.64
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide

N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide (PubChem CID 19174143) has the molecular formula C22H20ClNO2 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
PubChem CID19174143
Molecular FormulaC22H20ClNO2
Molecular Weight365.86 g/mol
Exact Mass365.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
SMILESCc1ccc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)cc1
InChIInChI=1S/C22H20ClNO2/c1-15-3-5-17(6-4-15)18-7-10-20(11-8-18)26-14-22(25)24-21-12-9-19(23)13-16(21)2/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyJFIAYDGXIRRMMM-UHFFFAOYSA-N
XLogP5.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide (CID 19174143) is N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide is Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide?
The InChIKey is JFIAYDGXIRRMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO2/c1-15-3-5-17(6-4-15)18-7-10-20(11-8-18)26-14-22(25)24-21-12-9-19(23)13-16(21)2/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide?
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide has a molecular weight of 365.86 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide is sourced from PubChem (CID 19174143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).