4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide

C13H8BrCl2FN4O2 — CID 156881079

IUPAC4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1NC(=O)c1c(F)cc(Br)cc1Cl
InChIInChI=1S/C13H8BrCl2FN4O2/c1-18-13(23)11-8(4-9(16)20-21-11)19-12(22)10-6(15)2-5(14)3-7(10)17/h2-4H,1H3,(H,18,23)(H,19,20,22)
InChIKeyYECWCJBDGQUXDV-UHFFFAOYSA-N
MW422.04 g/mol
LogP3.30
Rot. Bonds3

About 4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide

4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide (PubChem CID 156881079) has the molecular formula C13H8BrCl2FN4O2 and a molecular weight of 422.04 g/mol. Its IUPAC name is 4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide
PubChem CID156881079
Molecular FormulaC13H8BrCl2FN4O2
Molecular Weight422.04 g/mol
Exact Mass419.92
IUPAC Name4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1NC(=O)c1c(F)cc(Br)cc1Cl
InChIInChI=1S/C13H8BrCl2FN4O2/c1-18-13(23)11-8(4-9(16)20-21-11)19-12(22)10-6(15)2-5(14)3-7(10)17/h2-4H,1H3,(H,18,23)(H,19,20,22)
InChIKeyYECWCJBDGQUXDV-UHFFFAOYSA-N
XLogP3.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.04
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2,6-dichloro-N-methylbenzamide
CID 170992492
4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide
CID 115686692
4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide
CID 81271266
N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
CID 1279612
4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 146014259
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60862528
2-amino-5-bromo-3-fluoro-N-methylbenzamide
CID 67263746
N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
CID 47317659
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid
CID 60916637
4-bromo-2-fluoro-6-(methylamino)benzoic acid
CID 90040369
N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide
CID 3993061

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide?
The IUPAC name of 4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide (CID 156881079) is 4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(Cl)cc1NC(=O)c1c(F)cc(Br)cc1Cl.
What is the InChIKey of 4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide?
The InChIKey is YECWCJBDGQUXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FN4O2/c1-18-13(23)11-8(4-9(16)20-21-11)19-12(22)10-6(15)2-5(14)3-7(10)17/h2-4H,1H3,(H,18,23)(H,19,20,22).
What are the key properties of 4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide?
4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide has a molecular weight of 422.04 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-chloro-6-fluorobenzoyl)amino]-6-chloro-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 156881079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).