N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide

C19H15ClFN5O2 — CID 113049239

IUPACN-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)nn2)c1
InChIInChI=1S/C19H15ClFN5O2/c1-11(27)22-12-4-2-5-13(10-12)23-16-8-9-17(26-25-16)24-19(28)18-14(20)6-3-7-15(18)21/h2-10H,1H3,(H,22,27)(H,23,25)(H,24,26,28)
InChIKeySOCUWGFJSMSXDJ-UHFFFAOYSA-N
MW399.81 g/mol
LogP4.22
Rot. Bonds5

About N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide

N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide (PubChem CID 113049239) has the molecular formula C19H15ClFN5O2 and a molecular weight of 399.81 g/mol. Its IUPAC name is N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
PubChem CID113049239
Molecular FormulaC19H15ClFN5O2
Molecular Weight399.81 g/mol
Exact Mass399.09
IUPAC NameN-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)nn2)c1
InChIInChI=1S/C19H15ClFN5O2/c1-11(27)22-12-4-2-5-13(10-12)23-16-8-9-17(26-25-16)24-19(28)18-14(20)6-3-7-15(18)21/h2-10H,1H3,(H,22,27)(H,23,25)(H,24,26,28)
InChIKeySOCUWGFJSMSXDJ-UHFFFAOYSA-N
XLogP4.22
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide
CID 113049219
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999678
2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048572
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669
N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113049056
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113040581
N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 113031217
2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide
CID 113045170
2-chloro-6-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700402
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide (CID 113049239) is N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide is CC(=O)Nc1cccc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)nn2)c1.
What is the InChIKey of N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide?
The InChIKey is SOCUWGFJSMSXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O2/c1-11(27)22-12-4-2-5-13(10-12)23-16-8-9-17(26-25-16)24-19(28)18-14(20)6-3-7-15(18)21/h2-10H,1H3,(H,22,27)(H,23,25)(H,24,26,28).
What are the key properties of N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide?
N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide has a molecular weight of 399.81 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 113049239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).