2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide

C12H8ClF2N3O — CID 21072646

IUPAC2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
SMILESNc1cc(F)c(F)cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H8ClF2N3O/c13-6-1-2-11(17-5-6)18-12(19)7-3-8(14)9(15)4-10(7)16/h1-5H,16H2,(H,17,18,19)
InChIKeyARROYHCZIFKMBY-UHFFFAOYSA-N
MW283.67 g/mol
LogP2.85
Rot. Bonds2

About 2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide

2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide (PubChem CID 21072646) has the molecular formula C12H8ClF2N3O and a molecular weight of 283.67 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
PubChem CID21072646
Molecular FormulaC12H8ClF2N3O
Molecular Weight283.67 g/mol
Exact Mass283.03
IUPAC Name2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
SMILESNc1cc(F)c(F)cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H8ClF2N3O/c13-6-1-2-11(17-5-6)18-12(19)7-3-8(14)9(15)4-10(7)16/h1-5H,16H2,(H,17,18,19)
InChIKeyARROYHCZIFKMBY-UHFFFAOYSA-N
XLogP2.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzamide
CID 28893277
CID 89339560
CID 89339560
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 61094139
N-(5-amino-4-methyl-2-pyridinyl)-5-chloro-2-fluorobenzamide
CID 61292772
2-amino-N-(5-chloro-2-pyridinyl)-3-hydroxy-5-methylbenzamide
CID 153409482

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide?
The IUPAC name of 2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide (CID 21072646) is 2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide is Nc1cc(F)c(F)cc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide?
The InChIKey is ARROYHCZIFKMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3O/c13-6-1-2-11(17-5-6)18-12(19)7-3-8(14)9(15)4-10(7)16/h1-5H,16H2,(H,17,18,19).
What are the key properties of 2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide?
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide has a molecular weight of 283.67 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide is sourced from PubChem (CID 21072646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).