N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide

C18H20ClNO2 — CID 112978021

IUPACN-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NCc2ccccc2Cl)cc1C
InChIInChI=1S/C18H20ClNO2/c1-12-8-14(3)17(9-13(12)2)22-11-18(21)20-10-15-6-4-5-7-16(15)19/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeyAIRFOGKZYKQGCR-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.96
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide

N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide (PubChem CID 112978021) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
PubChem CID112978021
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NCc2ccccc2Cl)cc1C
InChIInChI=1S/C18H20ClNO2/c1-12-8-14(3)17(9-13(12)2)22-11-18(21)20-10-15-6-4-5-7-16(15)19/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeyAIRFOGKZYKQGCR-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978023
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
N-[(2-chlorophenyl)methyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394275
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540
N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 110783322
2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194203
N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500531
N-[(2-chlorophenyl)methyl]-3-(2-methylphenoxy)propanamide
CID 7973168
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194226
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8912148

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide (CID 112978021) is N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)NCc2ccccc2Cl)cc1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide?
The InChIKey is AIRFOGKZYKQGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12-8-14(3)17(9-13(12)2)22-11-18(21)20-10-15-6-4-5-7-16(15)19/h4-9H,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide?
N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide has a molecular weight of 317.82 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 112978021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).