N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide

C19H23ClN2O4 — CID 109008811

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2c(C)cc(C)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C19H23ClN2O4/c1-11-6-12(2)18(14(20)7-11)22-17(23)10-21-13-8-15(24-3)19(26-5)16(9-13)25-4/h6-9,21H,10H2,1-5H3,(H,22,23)
InChIKeyXJTHBDCETJMTML-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.03
Rot. Bonds7

About N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide (PubChem CID 109008811) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
PubChem CID109008811
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2c(C)cc(C)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C19H23ClN2O4/c1-11-6-12(2)18(14(20)7-11)22-17(23)10-21-13-8-15(24-3)19(26-5)16(9-13)25-4/h6-9,21H,10H2,1-5H3,(H,22,23)
InChIKeyXJTHBDCETJMTML-UHFFFAOYSA-N
XLogP4.03
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362409
2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9101828
2-(3,5-dichloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 26417629
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793058
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
CID 109003093
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946925
N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008818
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 41145608

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide (CID 109008811) is N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide is COc1cc(NCC(=O)Nc2c(C)cc(C)cc2Cl)cc(OC)c1OC.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The InChIKey is XJTHBDCETJMTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-11-6-12(2)18(14(20)7-11)22-17(23)10-21-13-8-15(24-3)19(26-5)16(9-13)25-4/h6-9,21H,10H2,1-5H3,(H,22,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide has a molecular weight of 378.86 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide is sourced from PubChem (CID 109008811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).