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

C19H22ClNO2 — CID 112978044

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NCCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H22ClNO2/c1-13-10-15(3)18(11-14(13)2)23-12-19(22)21-9-8-16-4-6-17(20)7-5-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyLURDZZDFZYOKNT-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.00
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide (PubChem CID 112978044) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
PubChem CID112978044
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NCCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H22ClNO2/c1-13-10-15(3)18(11-14(13)2)23-12-19(22)21-9-8-16-4-6-17(20)7-5-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyLURDZZDFZYOKNT-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18293065
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2709028
2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683015
N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696214
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide
CID 2632590
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2553995
2-(4-bromo-2,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4021966
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108572637
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide (CID 112978044) is N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)NCCc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide?
The InChIKey is LURDZZDFZYOKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-13-10-15(3)18(11-14(13)2)23-12-19(22)21-9-8-16-4-6-17(20)7-5-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide has a molecular weight of 331.84 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 112978044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).