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

C12H10ClN3O — CID 103950182

IUPAC2-amino-N-(4-chloro-2-pyridinyl)benzamide
SMILESNc1ccccc1C(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C12H10ClN3O/c13-8-5-6-15-11(7-8)16-12(17)9-3-1-2-4-10(9)14/h1-7H,14H2,(H,15,16,17)
InChIKeyBARLJCGZUFGWSC-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.57
Rot. Bonds2

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

2-amino-N-(4-chloro-2-pyridinyl)benzamide (PubChem CID 103950182) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-2-pyridinyl)benzamide
PubChem CID103950182
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-amino-N-(4-chloro-2-pyridinyl)benzamide
SMILESNc1ccccc1C(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C12H10ClN3O/c13-8-5-6-15-11(7-8)16-12(17)9-3-1-2-4-10(9)14/h1-7H,14H2,(H,15,16,17)
InChIKeyBARLJCGZUFGWSC-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-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide
CID 114052160
2-amino-6-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 114052162
N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107358819
2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
CID 113456910
5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
N-(4-chloro-2-pyridinyl)-2-ethoxybenzamide
CID 113236114
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
N-(4-chloro-2-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 104820977
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681910
4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide
CID 113342708
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-2-pyridinyl)benzamide?
The IUPAC name of 2-amino-N-(4-chloro-2-pyridinyl)benzamide (CID 103950182) is 2-amino-N-(4-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-N-(4-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 2-amino-N-(4-chloro-2-pyridinyl)benzamide is Nc1ccccc1C(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of 2-amino-N-(4-chloro-2-pyridinyl)benzamide?
The InChIKey is BARLJCGZUFGWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-8-5-6-15-11(7-8)16-12(17)9-3-1-2-4-10(9)14/h1-7H,14H2,(H,15,16,17).
What are the key properties of 2-amino-N-(4-chloro-2-pyridinyl)benzamide?
2-amino-N-(4-chloro-2-pyridinyl)benzamide 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-N-(4-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 103950182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).