3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide

C12H9Cl2N3O — CID 112576138

IUPAC3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide
SMILESNc1cccc(C(=O)Nc2cnccc2Cl)c1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-8-4-5-16-6-10(8)17-12(18)7-2-1-3-9(15)11(7)14/h1-6H,15H2,(H,17,18)
InChIKeyULLQRDKLRVKXBZ-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.22
Rot. Bonds2

About 3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide

3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide (PubChem CID 112576138) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide
PubChem CID112576138
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide
SMILESNc1cccc(C(=O)Nc2cnccc2Cl)c1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-8-4-5-16-6-10(8)17-12(18)7-2-1-3-9(15)11(7)14/h1-6H,15H2,(H,17,18)
InChIKeyULLQRDKLRVKXBZ-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.22
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

N-(4-chloro-3-pyridinyl)-2-iodobenzamide
CID 78965019
N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464
3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031
2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide
CID 83167499
3-amino-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 23633071
2-amino-3-chloro-N-isoquinolin-5-ylbenzamide
CID 115540126
2-amino-3-chloro-N-(3-methyl-4-pyridinyl)benzamide
CID 113331765
N-(4-chloro-3-pyridinyl)-2,6-dimethylbenzamide
CID 103769247
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 115930162
2-[(4-chloro-3-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 83165732
3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
CID 112576057

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide (CID 112576138) is 3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide is Nc1cccc(C(=O)Nc2cnccc2Cl)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide?
The InChIKey is ULLQRDKLRVKXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-8-4-5-16-6-10(8)17-12(18)7-2-1-3-9(15)11(7)14/h1-6H,15H2,(H,17,18).
What are the key properties of 3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide?
3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide has a molecular weight of 282.13 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide is sourced from PubChem (CID 112576138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).