N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide

C19H16FN3O — CID 113035866

IUPACN-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3cccc(F)c3)cn2)cc1
InChIInChI=1S/C19H16FN3O/c1-13-5-7-14(8-6-13)19(24)23-18-10-9-17(12-21-18)22-16-4-2-3-15(20)11-16/h2-12,22H,1H3,(H,21,23,24)
InChIKeyRUHLFTKROZTNRV-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.53
Rot. Bonds4

About N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide

N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide (PubChem CID 113035866) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
PubChem CID113035866
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC NameN-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3cccc(F)c3)cn2)cc1
InChIInChI=1S/C19H16FN3O/c1-13-5-7-14(8-6-13)19(24)23-18-10-9-17(12-21-18)22-16-4-2-3-15(20)11-16/h2-12,22H,1H3,(H,21,23,24)
InChIKeyRUHLFTKROZTNRV-UHFFFAOYSA-N
XLogP4.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879
N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
CID 113049942
N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113037492
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113032254
3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034913

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide (CID 113035866) is N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Nc3cccc(F)c3)cn2)cc1.
What is the InChIKey of N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide?
The InChIKey is RUHLFTKROZTNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-13-5-7-14(8-6-13)19(24)23-18-10-9-17(12-21-18)22-16-4-2-3-15(20)11-16/h2-12,22H,1H3,(H,21,23,24).
What are the key properties of N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide?
N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide has a molecular weight of 321.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 113035866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).