3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide

C13H11Cl2N3O — CID 141026180

IUPAC3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nccc(Cl)c2Cl)cc1N
InChIInChI=1S/C13H11Cl2N3O/c1-7-2-3-8(6-10(7)16)13(19)18-12-11(15)9(14)4-5-17-12/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyHYTXWHVOHVEMAG-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.53
Rot. Bonds2

About 3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide

3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide (PubChem CID 141026180) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide
PubChem CID141026180
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nccc(Cl)c2Cl)cc1N
InChIInChI=1S/C13H11Cl2N3O/c1-7-2-3-8(6-10(7)16)13(19)18-12-11(15)9(14)4-5-17-12/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyHYTXWHVOHVEMAG-UHFFFAOYSA-N
XLogP3.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide (CID 141026180) is 3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nccc(Cl)c2Cl)cc1N.
What is the InChIKey of 3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide?
The InChIKey is HYTXWHVOHVEMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-7-2-3-8(6-10(7)16)13(19)18-12-11(15)9(14)4-5-17-12/h2-6H,16H2,1H3,(H,17,18,19).
What are the key properties of 3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide?
3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide has a molecular weight of 296.16 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide is sourced from PubChem (CID 141026180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).