2-amino-5-chloro-N-pyridin-4-ylbenzamide

C12H10ClN3O — CID 16770582

IUPAC2-amino-5-chloro-N-pyridin-4-ylbenzamide
SMILESNc1ccc(Cl)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C12H10ClN3O/c13-8-1-2-11(14)10(7-8)12(17)16-9-3-5-15-6-4-9/h1-7H,14H2,(H,15,16,17)
InChIKeyOYKWUJOBUQZDIC-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.57
Rot. Bonds2

About 2-amino-5-chloro-N-pyridin-4-ylbenzamide

2-amino-5-chloro-N-pyridin-4-ylbenzamide (PubChem CID 16770582) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-amino-5-chloro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-pyridin-4-ylbenzamide
PubChem CID16770582
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-amino-5-chloro-N-pyridin-4-ylbenzamide
SMILESNc1ccc(Cl)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C12H10ClN3O/c13-8-1-2-11(14)10(7-8)12(17)16-9-3-5-15-6-4-9/h1-7H,14H2,(H,15,16,17)
InChIKeyOYKWUJOBUQZDIC-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.57
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

2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
CID 107786836
N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
CID 82881267
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411
2-amino-N-(2-carbamoyl-4-chlorophenyl)-5-chlorobenzamide
CID 172722121
2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
CID 35828938
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-amino-5-chloro-N-pyridin-4-ylbenzamide (CID 16770582) is 2-amino-5-chloro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-amino-5-chloro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-amino-5-chloro-N-pyridin-4-ylbenzamide is Nc1ccc(Cl)cc1C(=O)Nc1ccncc1.
What is the InChIKey of 2-amino-5-chloro-N-pyridin-4-ylbenzamide?
The InChIKey is OYKWUJOBUQZDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-8-1-2-11(14)10(7-8)12(17)16-9-3-5-15-6-4-9/h1-7H,14H2,(H,15,16,17).
What are the key properties of 2-amino-5-chloro-N-pyridin-4-ylbenzamide?
2-amino-5-chloro-N-pyridin-4-ylbenzamide has a molecular weight of 247.69 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 16770582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).