N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide

C17H18ClNO2 — CID 679560

IUPACN-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C17H18ClNO2/c1-11-7-12(2)9-14(8-11)21-10-17(20)19-16-6-4-5-15(18)13(16)3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyLHIGTAIBWHPZEB-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.28
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide

N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 679560) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
PubChem CID679560
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C17H18ClNO2/c1-11-7-12(2)9-14(8-11)21-10-17(20)19-16-6-4-5-15(18)13(16)3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyLHIGTAIBWHPZEB-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-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
2-(3-aminophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 39107715
2-(3-acetamidophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 964555
N-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
CID 18870437
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 835994
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 40564745
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139420
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3550722
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 7784194
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932401

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide (CID 679560) is N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is LHIGTAIBWHPZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-7-12(2)9-14(8-11)21-10-17(20)19-16-6-4-5-15(18)13(16)3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide?
N-(3-chloro-2-methylphenyl)-2-(3,5-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-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 679560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).