3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide

C15H14Cl2N2O2 — CID 81093926

IUPAC3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2c(Cl)ccc(C)c2Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-8-3-4-12(16)14(13(8)17)19-15(20)9-5-10(18)7-11(6-9)21-2/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyXQGQFLOPXADOKN-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.14
Rot. Bonds3

About 3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide

3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide (PubChem CID 81093926) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide
PubChem CID81093926
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2c(Cl)ccc(C)c2Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-8-3-4-12(16)14(13(8)17)19-15(20)9-5-10(18)7-11(6-9)21-2/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyXQGQFLOPXADOKN-UHFFFAOYSA-N
XLogP4.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 82811367
3-amino-5-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 78984369
3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 81089771
4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide
CID 29273488
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2518276
3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide
CID 107526613
3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 107979976
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
3-amino-N-(5-chloro-2-fluorophenyl)-5-methoxybenzamide
CID 78985100
N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 107806880
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide
CID 81090898

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide?
The IUPAC name of 3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide (CID 81093926) is 3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide is COc1cc(N)cc(C(=O)Nc2c(Cl)ccc(C)c2Cl)c1.
What is the InChIKey of 3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide?
The InChIKey is XQGQFLOPXADOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-8-3-4-12(16)14(13(8)17)19-15(20)9-5-10(18)7-11(6-9)21-2/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide?
3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide has a molecular weight of 325.20 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide is sourced from PubChem (CID 81093926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).