N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide

C18H20ClNO3 — CID 43874167

IUPACN-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)NC(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO3/c1-12(13-4-6-15(19)7-5-13)20-18(21)11-14-10-16(22-2)8-9-17(14)23-3/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyPEUHLSLXGCZRDQ-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.78
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide

N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide (PubChem CID 43874167) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
PubChem CID43874167
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)NC(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO3/c1-12(13-4-6-15(19)7-5-13)20-18(21)11-14-10-16(22-2)8-9-17(14)23-3/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyPEUHLSLXGCZRDQ-UHFFFAOYSA-N
XLogP3.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 28560333
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9092722
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7948779
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 7726595
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634222
N-[1-(2,4-difluorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806064
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 46418763

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide (CID 43874167) is N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(CC(=O)NC(C)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is PEUHLSLXGCZRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12(13-4-6-15(19)7-5-13)20-18(21)11-14-10-16(22-2)8-9-17(14)23-3/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide?
N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 333.82 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 43874167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).