N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide

C18H13ClFN3O — CID 113033286

IUPACN-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(Nc2cccc(Cl)c2)cn1)c1cccc(F)c1
InChIInChI=1S/C18H13ClFN3O/c19-13-4-2-6-15(10-13)22-16-7-8-17(21-11-16)23-18(24)12-3-1-5-14(20)9-12/h1-11,22H,(H,21,23,24)
InChIKeyIRUGQBGSYURHDD-UHFFFAOYSA-N
MW341.77 g/mol
LogP4.87
Rot. Bonds4

About N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide

N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide (PubChem CID 113033286) has the molecular formula C18H13ClFN3O and a molecular weight of 341.77 g/mol. Its IUPAC name is N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
PubChem CID113033286
Molecular FormulaC18H13ClFN3O
Molecular Weight341.77 g/mol
Exact Mass341.07
IUPAC NameN-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(Nc2cccc(Cl)c2)cn1)c1cccc(F)c1
InChIInChI=1S/C18H13ClFN3O/c19-13-4-2-6-15(10-13)22-16-7-8-17(21-11-16)23-18(24)12-3-1-5-14(20)9-12/h1-11,22H,(H,21,23,24)
InChIKeyIRUGQBGSYURHDD-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

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Related Compounds

3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034913
3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
CID 113037181
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113032254
N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113035866
3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide
CID 113049968
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879
3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide
CID 113036517
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
CID 113034983
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide?
The IUPAC name of N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide (CID 113033286) is N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide is O=C(Nc1ccc(Nc2cccc(Cl)c2)cn1)c1cccc(F)c1.
What is the InChIKey of N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide?
The InChIKey is IRUGQBGSYURHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O/c19-13-4-2-6-15(10-13)22-16-7-8-17(21-11-16)23-18(24)12-3-1-5-14(20)9-12/h1-11,22H,(H,21,23,24).
What are the key properties of N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide?
N-[5-(3-chloroanilino)-2-pyridinyl]-3-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-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 113033286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).