2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide

C18H20Cl4N2O5 — CID 159426451

IUPAC2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(Cl)c(N)c1Cl.COc1cc(OC)c(Cl)c(NC(C)=O)c1Cl
InChIInChI=1S/C10H11Cl2NO3.C8H9Cl2NO2/c1-5(14)13-10-8(11)6(15-2)4-7(16-3)9(10)12;1-12-4-3-5(13-2)7(10)8(11)6(4)9/h4H,1-3H3,(H,13,14);3H,11H2,1-2H3
InChIKeyLQKLUPSSZVEITL-UHFFFAOYSA-N
MW486.18 g/mol
LogP5.56
Rot. Bonds5

About 2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide

2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide (PubChem CID 159426451) has the molecular formula C18H20Cl4N2O5 and a molecular weight of 486.18 g/mol. Its IUPAC name is 2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide
PubChem CID159426451
Molecular FormulaC18H20Cl4N2O5
Molecular Weight486.18 g/mol
Exact Mass484.01
IUPAC Name2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(Cl)c(N)c1Cl.COc1cc(OC)c(Cl)c(NC(C)=O)c1Cl
InChIInChI=1S/C10H11Cl2NO3.C8H9Cl2NO2/c1-5(14)13-10-8(11)6(15-2)4-7(16-3)9(10)12;1-12-4-3-5(13-2)7(10)8(11)6(4)9/h4H,1-3H3,(H,13,14);3H,11H2,1-2H3
InChIKeyLQKLUPSSZVEITL-UHFFFAOYSA-N
XLogP5.56
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.18
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-chloro-6-methoxyphenyl)acetamide
CID 100828458
2-amino-3-chloro-4,6-dimethoxybenzoic acid
CID 136575886
N-(2,6-difluoro-3,5-dimethoxyphenyl)acetamide
CID 150969889
ethyl (E)-3-(2-acetamido-4-chloro-3,5-dimethoxyphenyl)prop-2-enoate;ethyl (E)-3-(2-amino-4-chloro-3,5-dimethoxyphenyl)prop-2-enoate
CID 159489396
2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
CID 143401300
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
2-chloro-5-iodo-3-methoxybenzoyl chloride
CID 171002829
N-(3-chloro-2,4-dimethoxyphenyl)acetamide
CID 91691937
ethane;methyl 4-chloro-3-methoxy-5-methylbenzoate
CID 145414016

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide (CID 159426451) is 2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide is COc1cc(OC)c(Cl)c(N)c1Cl.COc1cc(OC)c(Cl)c(NC(C)=O)c1Cl.
What is the InChIKey of 2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide?
The InChIKey is LQKLUPSSZVEITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3.C8H9Cl2NO2/c1-5(14)13-10-8(11)6(15-2)4-7(16-3)9(10)12;1-12-4-3-5(13-2)7(10)8(11)6(4)9/h4H,1-3H3,(H,13,14);3H,11H2,1-2H3.
What are the key properties of 2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide?
2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide has a molecular weight of 486.18 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3,5-dimethoxyaniline;N-(2,6-dichloro-3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 159426451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).