2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide

C13H11Cl2N3O — CID 118279157

IUPAC2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1N)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H11Cl2N3O/c1-18(10-6-7-11(14)17-12(10)15)13(19)8-4-2-3-5-9(8)16/h2-7H,16H2,1H3
InChIKeyNXPUBEQOPYOWCA-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.25
Rot. Bonds2

About 2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide

2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide (PubChem CID 118279157) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide
PubChem CID118279157
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1N)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H11Cl2N3O/c1-18(10-6-7-11(14)17-12(10)15)13(19)8-4-2-3-5-9(8)16/h2-7H,16H2,1H3
InChIKeyNXPUBEQOPYOWCA-UHFFFAOYSA-N
XLogP3.25
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide?
The IUPAC name of 2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide (CID 118279157) is 2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide?
The canonical SMILES for 2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide is CN(C(=O)c1ccccc1N)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide?
The InChIKey is NXPUBEQOPYOWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-18(10-6-7-11(14)17-12(10)15)13(19)8-4-2-3-5-9(8)16/h2-7H,16H2,1H3.
What are the key properties of 2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide?
2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide has a molecular weight of 296.16 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide is sourced from PubChem (CID 118279157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).