2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide

C16H16ClNO2 — CID 918181

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C16H16ClNO2/c1-11-8-14(9-12(2)16(11)17)20-10-15(19)18-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyHTEWOIBJIZXCBE-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.97
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide (PubChem CID 918181) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
PubChem CID918181
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C16H16ClNO2/c1-11-8-14(9-12(2)16(11)17)20-10-15(19)18-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyHTEWOIBJIZXCBE-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111
1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea
CID 732370
N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide
CID 108922706
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17227717
methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate
CID 17296544
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide
CID 1329877
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 112979011
2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
CID 5119773
N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54777100
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 776798
2-(3-hydroxy-5-methylphenoxy)-N-phenylacetamide
CID 107679862

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide (CID 918181) is 2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide is Cc1cc(OCC(=O)Nc2ccccc2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide?
The InChIKey is HTEWOIBJIZXCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-8-14(9-12(2)16(11)17)20-10-15(19)18-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide has a molecular weight of 289.76 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide is sourced from PubChem (CID 918181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).