N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide

C18H14ClFN4O2 — CID 113047832

IUPACN-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(F)c(Cl)c3)nn2)cc1
InChIInChI=1S/C18H14ClFN4O2/c1-26-13-5-2-11(3-6-13)18(25)22-17-9-8-16(23-24-17)21-12-4-7-15(20)14(19)10-12/h2-10H,1H3,(H,21,23)(H,22,24,25)
InChIKeyADVUHJCMWADFJT-UHFFFAOYSA-N
MW372.79 g/mol
LogP4.27
Rot. Bonds5

About N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide

N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide (PubChem CID 113047832) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide
PubChem CID113047832
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC NameN-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(F)c(Cl)c3)nn2)cc1
InChIInChI=1S/C18H14ClFN4O2/c1-26-13-5-2-11(3-6-13)18(25)22-17-9-8-16(23-24-17)21-12-4-7-15(20)14(19)10-12/h2-10H,1H3,(H,21,23)(H,22,24,25)
InChIKeyADVUHJCMWADFJT-UHFFFAOYSA-N
XLogP4.27
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113036697
4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048972
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
CID 113049591
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113047843
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 46823403
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109358556
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047822
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide (CID 113047832) is N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccc(F)c(Cl)c3)nn2)cc1.
What is the InChIKey of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide?
The InChIKey is ADVUHJCMWADFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-26-13-5-2-11(3-6-13)18(25)22-17-9-8-16(23-24-17)21-12-4-7-15(20)14(19)10-12/h2-10H,1H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide?
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide has a molecular weight of 372.79 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 113047832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).