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

C13H11ClFN5O2 — CID 6409882

IUPAC2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide
SMILESCc1ccc(NNC(=O)NC(=O)c2c(F)cccc2Cl)nn1
InChIInChI=1S/C13H11ClFN5O2/c1-7-5-6-10(18-17-7)19-20-13(22)16-12(21)11-8(14)3-2-4-9(11)15/h2-6H,1H3,(H,18,19)(H2,16,20,21,22)
InChIKeyBXBAGGGLCZDTKY-UHFFFAOYSA-N
MW323.72 g/mol
LogP2.04
Rot. Bonds3

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

2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide (PubChem CID 6409882) has the molecular formula C13H11ClFN5O2 and a molecular weight of 323.72 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide
PubChem CID6409882
Molecular FormulaC13H11ClFN5O2
Molecular Weight323.72 g/mol
Exact Mass323.06
IUPAC Name2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide
SMILESCc1ccc(NNC(=O)NC(=O)c2c(F)cccc2Cl)nn1
InChIInChI=1S/C13H11ClFN5O2/c1-7-5-6-10(18-17-7)19-20-13(22)16-12(21)11-8(14)3-2-4-9(11)15/h2-6H,1H3,(H,18,19)(H2,16,20,21,22)
InChIKeyBXBAGGGLCZDTKY-UHFFFAOYSA-N
XLogP2.04
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.72
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide
CID 2780073
2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
CID 13242696
2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide
CID 113045170
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
CID 13242717
N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 82330961
(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate
CID 2798270
N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049239
2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
CID 4052856
ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate
CID 15582695
2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide
CID 2798573
2-chloro-6-fluoro-N-(2-methylimidazo[1,2-a]pyridin-8-yl)benzamide
CID 110735250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide (CID 6409882) is 2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide is Cc1ccc(NNC(=O)NC(=O)c2c(F)cccc2Cl)nn1.
What is the InChIKey of 2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide?
The InChIKey is BXBAGGGLCZDTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN5O2/c1-7-5-6-10(18-17-7)19-20-13(22)16-12(21)11-8(14)3-2-4-9(11)15/h2-6H,1H3,(H,18,19)(H2,16,20,21,22).
What are the key properties of 2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide?
2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide has a molecular weight of 323.72 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide is sourced from PubChem (CID 6409882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).