N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide

C17H19ClN2O4 — CID 78793058

IUPACN-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C17H19ClN2O4/c1-22-14-8-13(9-15(23-2)17(14)24-3)19-10-16(21)20-12-6-4-5-11(18)7-12/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyVZJGYFYIQYRVNG-UHFFFAOYSA-N
MW350.80 g/mol
LogP3.42
Rot. Bonds7

About N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide

N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide (PubChem CID 78793058) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
PubChem CID78793058
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC NameN-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C17H19ClN2O4/c1-22-14-8-13(9-15(23-2)17(14)24-3)19-10-16(21)20-12-6-4-5-11(18)7-12/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyVZJGYFYIQYRVNG-UHFFFAOYSA-N
XLogP3.42
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.42
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-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178406
N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987070
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362391
2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide
CID 107583061
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362283
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 55680128
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N-(3-chlorophenyl)-3,4,5-trimethoxyaniline
CID 102029180

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide (CID 78793058) is N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide is COc1cc(NCC(=O)Nc2cccc(Cl)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The InChIKey is VZJGYFYIQYRVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-22-14-8-13(9-15(23-2)17(14)24-3)19-10-16(21)20-12-6-4-5-11(18)7-12/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide has a molecular weight of 350.80 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide is sourced from PubChem (CID 78793058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).