2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide

C19H16FN3O2 — CID 113019493

IUPAC2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1
InChIInChI=1S/C19H16FN3O2/c1-25-15-9-6-13(7-10-15)22-18-11-8-14(12-21-18)23-19(24)16-4-2-3-5-17(16)20/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyYDXYOKAIRRXAJL-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.23
Rot. Bonds5

About 2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide

2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide (PubChem CID 113019493) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
PubChem CID113019493
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1
InChIInChI=1S/C19H16FN3O2/c1-25-15-9-6-13(7-10-15)22-18-11-8-14(12-21-18)23-19(24)16-4-2-3-5-17(16)20/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyYDXYOKAIRRXAJL-UHFFFAOYSA-N
XLogP4.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019504
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113021804
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 1449581
2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021055
N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide (CID 113019493) is 2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide is COc1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1.
What is the InChIKey of 2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide?
The InChIKey is YDXYOKAIRRXAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-25-15-9-6-13(7-10-15)22-18-11-8-14(12-21-18)23-19(24)16-4-2-3-5-17(16)20/h2-12H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide?
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide has a molecular weight of 337.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113019493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).