2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide

C18H21ClN2O3 — CID 108997009

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCOc1cc(NCC(=O)NCc2cccc(C)c2)c(OC)cc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-12-5-4-6-13(7-12)10-21-18(22)11-20-15-9-16(23-2)14(19)8-17(15)24-3/h4-9,20H,10-11H2,1-3H3,(H,21,22)
InChIKeyIUUCMSGKZIKVHI-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.39
Rot. Bonds7

About 2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide

2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 108997009) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID108997009
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCOc1cc(NCC(=O)NCc2cccc(C)c2)c(OC)cc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-12-5-4-6-13(7-12)10-21-18(22)11-20-15-9-16(23-2)14(19)8-17(15)24-3/h4-9,20H,10-11H2,1-3H3,(H,21,22)
InChIKeyIUUCMSGKZIKVHI-UHFFFAOYSA-N
XLogP3.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 31054802
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996749
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
CID 60652992
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992172
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
methyl 4-[[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 108996975
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-cyanoethyl)acetamide
CID 28572795

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide (CID 108997009) is 2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide is COc1cc(NCC(=O)NCc2cccc(C)c2)c(OC)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is IUUCMSGKZIKVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-12-5-4-6-13(7-12)10-21-18(22)11-20-15-9-16(23-2)14(19)8-17(15)24-3/h4-9,20H,10-11H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide?
2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 348.83 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 108997009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).