N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide

C20H17FN4O2 — CID 113035132

IUPACN-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)c3ccc(F)cc3)nc2)c1
InChIInChI=1S/C20H17FN4O2/c1-13(26)23-16-3-2-4-17(11-16)24-18-9-10-19(22-12-18)25-20(27)14-5-7-15(21)8-6-14/h2-12,24H,1H3,(H,23,26)(H,22,25,27)
InChIKeyGZIUJFJHHIQWGS-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.18
Rot. Bonds5

About N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide

N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide (PubChem CID 113035132) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
PubChem CID113035132
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)c3ccc(F)cc3)nc2)c1
InChIInChI=1S/C20H17FN4O2/c1-13(26)23-16-3-2-4-17(11-16)24-18-9-10-19(22-12-18)25-20(27)14-5-7-15(21)8-6-14/h2-12,24H,1H3,(H,23,26)(H,22,25,27)
InChIKeyGZIUJFJHHIQWGS-UHFFFAOYSA-N
XLogP4.18
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide
CID 113035126
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113035866
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
CID 113034983
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035161
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879
4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023565
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide?
The IUPAC name of N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide (CID 113035132) is N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide?
The canonical SMILES for N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide is CC(=O)Nc1cccc(Nc2ccc(NC(=O)c3ccc(F)cc3)nc2)c1.
What is the InChIKey of N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide?
The InChIKey is GZIUJFJHHIQWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-13(26)23-16-3-2-4-17(11-16)24-18-9-10-19(22-12-18)25-20(27)14-5-7-15(21)8-6-14/h2-12,24H,1H3,(H,23,26)(H,22,25,27).
What are the key properties of N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide?
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide has a molecular weight of 364.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide is sourced from PubChem (CID 113035132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).