2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C18H20ClNO2 — CID 727454

IUPAC2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-12(2)14-8-6-7-13(3)18(14)20-17(21)11-22-16-10-5-4-9-15(16)19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyLNGDFXOOCUUJSX-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.79
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 727454) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID727454
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-12(2)14-8-6-7-13(3)18(14)20-17(21)11-22-16-10-5-4-9-15(16)19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyLNGDFXOOCUUJSX-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785981
2-(2-acetylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 112781602
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570538
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 112997414
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854161
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7233584
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-phenylphenoxy)acetamide
CID 7790431
2-(4-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7688543
2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2338112
2-(4-bromo-2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 19201614
N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide
CID 52891651
2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 19203579

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 727454) is 2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)COc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is LNGDFXOOCUUJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12(2)14-8-6-7-13(3)18(14)20-17(21)11-22-16-10-5-4-9-15(16)19/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 317.82 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 727454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).