N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide

C17H18ClNO2 — CID 1122557

IUPACN-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)cc2C)cc1C
InChIInChI=1S/C17H18ClNO2/c1-11-4-6-15(9-12(11)2)21-10-17(20)19-16-7-5-14(18)8-13(16)3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyAMFBMHOBOGVZTL-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.28
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide

N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 1122557) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
PubChem CID1122557
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)cc2C)cc1C
InChIInChI=1S/C17H18ClNO2/c1-11-4-6-15(9-12(11)2)21-10-17(20)19-16-7-5-14(18)8-13(16)3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyAMFBMHOBOGVZTL-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
N-(4-chloro-2-methylphenyl)-2-(3,5-dichlorophenoxy)acetamide
CID 7467092
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1321750
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 7784194
2-(4-benzoylphenoxy)-N-(4-chloro-2-methylphenyl)acetamide
CID 7717727
4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
CID 7372746
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
1-(4-chloro-2-methylphenyl)-3-[2-(3,4-dimethylphenoxy)ethyl]urea
CID 112974174
N-(4-chloro-2-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 7914664
N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3913624

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide (CID 1122557) is N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is AMFBMHOBOGVZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-4-6-15(9-12(11)2)21-10-17(20)19-16-7-5-14(18)8-13(16)3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide?
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 303.79 g/mol, XLogP of 4.28, 4 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-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 1122557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).