4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide

C17H12FN3O — CID 13206636

IUPAC4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide
SMILESO=C(/N=c1/ccn(-c2ccccc2)nc1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3O/c18-14-8-6-13(7-9-14)17(22)20-15-10-11-21(19-12-15)16-4-2-1-3-5-16/h1-12H/b20-15-
InChIKeyWEKVDZUSVHIQJN-HKWRFOASSA-N
MW293.30 g/mol
LogP2.75
Rot. Bonds2

About 4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide

4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide (PubChem CID 13206636) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide
PubChem CID13206636
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide
SMILESO=C(/N=c1/ccn(-c2ccccc2)nc1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3O/c18-14-8-6-13(7-9-14)17(22)20-15-10-11-21(19-12-15)16-4-2-1-3-5-16/h1-12H/b20-15-
InChIKeyWEKVDZUSVHIQJN-HKWRFOASSA-N
XLogP2.75
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206639
S-propan-2-yl N-(1-phenylpyridazin-4-ylidene)carbamothioate
CID 54008116
N-(1-phenylpyridazin-4-ylidene)prop-2-enamide
CID 21246433
2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206641
1-(1-phenylpyridazin-4-ylidene)-3-propylurea
CID 54236103
[(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate
CID 150642203
1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea
CID 54424116
[(E)-but-2-enyl] N-(1-phenylpyridazin-4-ylidene)carbamate
CID 70392936
1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea
CID 54405070
2-(2,5-dimethoxyphenyl)-N-(1-phenylpyridazin-4-ylidene)acetamide
CID 70482716
N-(1-hydroxy-4-pyridinylidene)benzamide
CID 121008000
N-[1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 24625573

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide?
The IUPAC name of 4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide (CID 13206636) is 4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide.
What is the SMILES notation for 4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide?
The canonical SMILES for 4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide is O=C(/N=c1/ccn(-c2ccccc2)nc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide?
The InChIKey is WEKVDZUSVHIQJN-HKWRFOASSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-14-8-6-13(7-9-14)17(22)20-15-10-11-21(19-12-15)16-4-2-1-3-5-16/h1-12H/b20-15-.
What are the key properties of 4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide?
4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide has a molecular weight of 293.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide is sourced from PubChem (CID 13206636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).