N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide

C18H20ClNO4 — CID 9079447

IUPACN-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccccc2Cl)c(OC)c1OC
InChIInChI=1S/C18H20ClNO4/c1-22-15-9-8-12(17(23-2)18(15)24-3)10-16(21)20-11-13-6-4-5-7-14(13)19/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeyBRDACNMRAQTVNA-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.22
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide

N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 9079447) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID9079447
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccccc2Cl)c(OC)c1OC
InChIInChI=1S/C18H20ClNO4/c1-22-15-9-8-12(17(23-2)18(15)24-3)10-16(21)20-11-13-6-4-5-7-14(13)19/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeyBRDACNMRAQTVNA-UHFFFAOYSA-N
XLogP3.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide
CID 8870426
2-(2-chlorophenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 132656973
1-[(2-chlorophenyl)methyl]-3-ethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine
CID 111174185
1-[(2-chlorophenyl)methyl]-3-ethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111174184
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110784166
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide (CID 9079447) is N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2ccccc2Cl)c(OC)c1OC.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is BRDACNMRAQTVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-22-15-9-8-12(17(23-2)18(15)24-3)10-16(21)20-11-13-6-4-5-7-14(13)19/h4-9H,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 349.81 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 9079447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).