2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C18H20ClNO2 — CID 112775470

IUPAC2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccc(Cl)c(OCC(=O)N(C)Cc2ccccc2C)c1
InChIInChI=1S/C18H20ClNO2/c1-13-8-9-16(19)17(10-13)22-12-18(21)20(3)11-15-7-5-4-6-14(15)2/h4-10H,11-12H2,1-3H3
InChIKeyBTWKQWYJBBOGEF-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.99
Rot. Bonds5

About 2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 112775470) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID112775470
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccc(Cl)c(OCC(=O)N(C)Cc2ccccc2C)c1
InChIInChI=1S/C18H20ClNO2/c1-13-8-9-16(19)17(10-13)22-12-18(21)20(3)11-15-7-5-4-6-14(15)2/h4-10H,11-12H2,1-3H3
InChIKeyBTWKQWYJBBOGEF-UHFFFAOYSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112777998
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 4828466
2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112775473
2-(5-bromo-2-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 112828375
2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 112774399
methyl 3-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]propanoate
CID 61032213
N-[(2-chlorophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
CID 112790388
2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 9227961
2-(4-aminophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 61028416
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7757485
2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78766207
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 112775470) is 2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide is Cc1ccc(Cl)c(OCC(=O)N(C)Cc2ccccc2C)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is BTWKQWYJBBOGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13-8-9-16(19)17(10-13)22-12-18(21)20(3)11-15-7-5-4-6-14(15)2/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 317.82 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 112775470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).