4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide

C13H7Cl2N3O — CID 89406457

IUPAC4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Cl)nc2Cl)cc1
InChIInChI=1S/C13H7Cl2N3O/c14-11-6-5-10(12(15)18-11)17-13(19)9-3-1-8(7-16)2-4-9/h1-6H,(H,17,19)
InChIKeyCYCDFIFQCREZAF-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.51
Rot. Bonds2

About 4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide

4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide (PubChem CID 89406457) has the molecular formula C13H7Cl2N3O and a molecular weight of 292.13 g/mol. Its IUPAC name is 4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide
PubChem CID89406457
Molecular FormulaC13H7Cl2N3O
Molecular Weight292.13 g/mol
Exact Mass291.00
IUPAC Name4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Cl)nc2Cl)cc1
InChIInChI=1S/C13H7Cl2N3O/c14-11-6-5-10(12(15)18-11)17-13(19)9-3-1-8(7-16)2-4-9/h1-6H,(H,17,19)
InChIKeyCYCDFIFQCREZAF-UHFFFAOYSA-N
XLogP3.51
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide
CID 104578908
N-(6-chloropyrazin-2-yl)-4-cyanobenzamide
CID 115599289
N-(6-chloro-2-oxo-1H-pyridin-3-yl)-4-cyanobenzamide
CID 89198833
N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide
CID 102979689
4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-[(2,6-dichloro-3-pyridinyl)carbamothioyl]benzamide
CID 13415572
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide
CID 103601732
2-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid
CID 63723423
6-amino-N-(2-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 107810194

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide?
The IUPAC name of 4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide (CID 89406457) is 4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide.
What is the SMILES notation for 4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide?
The canonical SMILES for 4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide is N#Cc1ccc(C(=O)Nc2ccc(Cl)nc2Cl)cc1.
What is the InChIKey of 4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide?
The InChIKey is CYCDFIFQCREZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O/c14-11-6-5-10(12(15)18-11)17-13(19)9-3-1-8(7-16)2-4-9/h1-6H,(H,17,19).
What are the key properties of 4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide?
4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide has a molecular weight of 292.13 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide is sourced from PubChem (CID 89406457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).