2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide

C18H20ClNO3 — CID 17329407

IUPAC2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H20ClNO3/c1-12(14-6-9-16(22-2)17(11-14)23-3)20-18(21)10-13-4-7-15(19)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,20,21)
InChIKeyZFEPONMQDZPASQ-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.78
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 17329407) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID17329407
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H20ClNO3/c1-12(14-6-9-16(22-2)17(11-14)23-3)20-18(21)10-13-4-7-15(19)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,20,21)
InChIKeyZFEPONMQDZPASQ-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

2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329640
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 8025380
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7948779
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28547319
N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 43874167
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236029
3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127122091
2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 119732092
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 17329407) is 2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)Cc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is ZFEPONMQDZPASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12(14-6-9-16(22-2)17(11-14)23-3)20-18(21)10-13-4-7-15(19)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]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 2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 17329407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).