N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide

C17H11ClF2N4O — CID 113047474

IUPACN-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(Nc2cccc(Cl)c2)nn1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H11ClF2N4O/c18-11-2-1-3-12(9-11)21-15-6-7-16(24-23-15)22-17(25)10-4-5-13(19)14(20)8-10/h1-9H,(H,21,23)(H,22,24,25)
InChIKeyNSGCFXMTOHYGOO-UHFFFAOYSA-N
MW360.75 g/mol
LogP4.40
Rot. Bonds4

About N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide

N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide (PubChem CID 113047474) has the molecular formula C17H11ClF2N4O and a molecular weight of 360.75 g/mol. Its IUPAC name is N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide
PubChem CID113047474
Molecular FormulaC17H11ClF2N4O
Molecular Weight360.75 g/mol
Exact Mass360.06
IUPAC NameN-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(Nc2cccc(Cl)c2)nn1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H11ClF2N4O/c18-11-2-1-3-12(9-11)21-15-6-7-16(24-23-15)22-17(25)10-4-5-13(19)14(20)8-10/h1-9H,(H,21,23)(H,22,24,25)
InChIKeyNSGCFXMTOHYGOO-UHFFFAOYSA-N
XLogP4.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide
CID 113049968
3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide
CID 113045730
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047986
ethyl 4-[[6-[(3,4-difluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113050458
N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
CID 113049942
N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113051139
3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide
CID 113050395
N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113049056
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268814
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113047832
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide (CID 113047474) is N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide is O=C(Nc1ccc(Nc2cccc(Cl)c2)nn1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide?
The InChIKey is NSGCFXMTOHYGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N4O/c18-11-2-1-3-12(9-11)21-15-6-7-16(24-23-15)22-17(25)10-4-5-13(19)14(20)8-10/h1-9H,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide?
N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide has a molecular weight of 360.75 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 113047474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).