N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide

C17H18ClNO2 — CID 19174206

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-11-5-4-6-14(8-11)21-10-16(20)19-17-13(3)7-12(2)9-15(17)18/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeySCMIMBAOFTUXPS-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.28
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide (PubChem CID 19174206) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
PubChem CID19174206
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-11-5-4-6-14(8-11)21-10-16(20)19-17-13(3)7-12(2)9-15(17)18/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeySCMIMBAOFTUXPS-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-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide
CID 55733108
N-(2-chloro-4,6-dimethylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 2534815
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112998277
N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide
CID 24607292
N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178203
2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 110884930
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
CID 110884676
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate
CID 7764012
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744080

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide (CID 19174206) is N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide?
The InChIKey is SCMIMBAOFTUXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-5-4-6-14(8-11)21-10-16(20)19-17-13(3)7-12(2)9-15(17)18/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)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-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 19174206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).