N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide

C20H17FN4O2 — CID 113020547

IUPACN-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1
InChIInChI=1S/C20H17FN4O2/c1-13(26)23-14-6-8-15(9-7-14)24-19-11-10-16(12-22-19)25-20(27)17-4-2-3-5-18(17)21/h2-12H,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyXCAOFDBWRSPXBK-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.18
Rot. Bonds5

About N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide

N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide (PubChem CID 113020547) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
PubChem CID113020547
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1
InChIInChI=1S/C20H17FN4O2/c1-13(26)23-14-6-8-15(9-7-14)24-19-11-10-16(12-22-19)25-20(27)17-4-2-3-5-18(17)21/h2-12H,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyXCAOFDBWRSPXBK-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

2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113021804
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021055
N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113022429
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 18419487
2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide
CID 113020153
2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide
CID 113018308

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide (CID 113020547) is N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide is CC(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1.
What is the InChIKey of N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is XCAOFDBWRSPXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-13(26)23-14-6-8-15(9-7-14)24-19-11-10-16(12-22-19)25-20(27)17-4-2-3-5-18(17)21/h2-12H,1H3,(H,22,24)(H,23,26)(H,25,27).
What are the key properties of N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide?
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-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-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 113020547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).