6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide

C17H12ClFN4O — CID 109126674

IUPAC6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(Nc2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C17H12ClFN4O/c18-13-10-12(6-7-14(13)19)20-16-9-8-15(22-23-16)17(24)21-11-4-2-1-3-5-11/h1-10H,(H,20,23)(H,21,24)
InChIKeyDHRVYXFXXUWUCV-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.26
Rot. Bonds4

About 6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide

6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide (PubChem CID 109126674) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
PubChem CID109126674
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(Nc2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C17H12ClFN4O/c18-13-10-12(6-7-14(13)19)20-16-9-8-15(22-23-16)17(24)21-11-4-2-1-3-5-11/h1-10H,(H,20,23)(H,21,24)
InChIKeyDHRVYXFXXUWUCV-UHFFFAOYSA-N
XLogP4.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126736
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113080
N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
CID 109110889
5-anilino-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109197085
6-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120120
6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129782
methyl 3-[[6-[(4-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128785

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide (CID 109126674) is 6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(Nc2ccc(F)c(Cl)c2)nn1.
What is the InChIKey of 6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide?
The InChIKey is DHRVYXFXXUWUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c18-13-10-12(6-7-14(13)19)20-16-9-8-15(22-23-16)17(24)21-11-4-2-1-3-5-11/h1-10H,(H,20,23)(H,21,24).
What are the key properties of 6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide?
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide has a molecular weight of 342.76 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109126674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).