N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide

C18H13ClFN3O — CID 113031217

IUPACN-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cn1)c1c(F)cccc1Cl
InChIInChI=1S/C18H13ClFN3O/c19-14-7-4-8-15(20)17(14)18(24)23-16-10-9-13(11-21-16)22-12-5-2-1-3-6-12/h1-11,22H,(H,21,23,24)
InChIKeyLBZHSSMBRJKZPZ-UHFFFAOYSA-N
MW341.77 g/mol
LogP4.87
Rot. Bonds4

About N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide

N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide (PubChem CID 113031217) has the molecular formula C18H13ClFN3O and a molecular weight of 341.77 g/mol. Its IUPAC name is N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide
PubChem CID113031217
Molecular FormulaC18H13ClFN3O
Molecular Weight341.77 g/mol
Exact Mass341.07
IUPAC NameN-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cn1)c1c(F)cccc1Cl
InChIInChI=1S/C18H13ClFN3O/c19-14-7-4-8-15(20)17(14)18(24)23-16-10-9-13(11-21-16)22-12-5-2-1-3-6-12/h1-11,22H,(H,21,23,24)
InChIKeyLBZHSSMBRJKZPZ-UHFFFAOYSA-N
XLogP4.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide 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

2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017839
2-chloro-6-fluoro-N-pyridin-2-ylbenzamide
CID 47142485
2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011893
2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
CID 113027789
2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide
CID 113022787
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
CID 113033399
2-chloro-6-fluoro-N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013311
2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide
CID 113023141
2-chloro-6-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011791
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034912

Frequently Asked Questions

What is the IUPAC name of N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide (CID 113031217) is N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide is O=C(Nc1ccc(Nc2ccccc2)cn1)c1c(F)cccc1Cl.
What is the InChIKey of N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide?
The InChIKey is LBZHSSMBRJKZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O/c19-14-7-4-8-15(20)17(14)18(24)23-16-10-9-13(11-21-16)22-12-5-2-1-3-6-12/h1-11,22H,(H,21,23,24).
What are the key properties of N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide?
N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide has a molecular weight of 341.77 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 113031217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).