2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide

C14H13ClFN5O2 — CID 6409884

IUPAC2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide
SMILESCc1ccc(N(C)NC(=O)NC(=O)c2c(F)cccc2Cl)nn1
InChIInChI=1S/C14H13ClFN5O2/c1-8-6-7-11(19-18-8)21(2)20-14(23)17-13(22)12-9(15)4-3-5-10(12)16/h3-7H,1-2H3,(H2,17,20,22,23)
InChIKeyFTXXYMTYOWUZOZ-UHFFFAOYSA-N
MW337.74 g/mol
LogP2.07
Rot. Bonds3

About 2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide

2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide (PubChem CID 6409884) has the molecular formula C14H13ClFN5O2 and a molecular weight of 337.74 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide
PubChem CID6409884
Molecular FormulaC14H13ClFN5O2
Molecular Weight337.74 g/mol
Exact Mass337.07
IUPAC Name2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide
SMILESCc1ccc(N(C)NC(=O)NC(=O)c2c(F)cccc2Cl)nn1
InChIInChI=1S/C14H13ClFN5O2/c1-8-6-7-11(19-18-8)21(2)20-14(23)17-13(22)12-9(15)4-3-5-10(12)16/h3-7H,1-2H3,(H2,17,20,22,23)
InChIKeyFTXXYMTYOWUZOZ-UHFFFAOYSA-N
XLogP2.07
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.74
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide (CID 6409884) is 2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide is Cc1ccc(N(C)NC(=O)NC(=O)c2c(F)cccc2Cl)nn1.
What is the InChIKey of 2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide?
The InChIKey is FTXXYMTYOWUZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN5O2/c1-8-6-7-11(19-18-8)21(2)20-14(23)17-13(22)12-9(15)4-3-5-10(12)16/h3-7H,1-2H3,(H2,17,20,22,23).
What are the key properties of 2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide?
2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide has a molecular weight of 337.74 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide is sourced from PubChem (CID 6409884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).