N-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide

C14H8ClF6N3O — CID 154861203

IUPACN-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)nn1
InChIInChI=1S/C14H8ClF6N3O/c1-24(11-3-2-10(15)22-23-11)12(25)7-4-8(13(16,17)18)6-9(5-7)14(19,20)21/h2-6H,1H3
InChIKeySXMNFKSHORWSHQ-UHFFFAOYSA-N
MW383.68 g/mol
LogP4.44
Rot. Bonds2

About N-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide

N-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 154861203) has the molecular formula C14H8ClF6N3O and a molecular weight of 383.68 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
PubChem CID154861203
Molecular FormulaC14H8ClF6N3O
Molecular Weight383.68 g/mol
Exact Mass383.03
IUPAC NameN-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)nn1
InChIInChI=1S/C14H8ClF6N3O/c1-24(11-3-2-10(15)22-23-11)12(25)7-4-8(13(16,17)18)6-9(5-7)14(19,20)21/h2-6H,1H3
InChIKeySXMNFKSHORWSHQ-UHFFFAOYSA-N
XLogP4.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.68
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N-chloro-3,5-bis(trifluoromethyl)benzamide
CID 132849037
N-[4-(3-chloro-2-fluorophenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 86670733
N-[4-(2-aminophenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 86670806
3,5-dichloro-N-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1475846
CID 58886835
CID 58886835
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
1-(4-chlorobenzoyl)-3-(4-chlorophenyl)-1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]thiourea
CID 121237640
N-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 87629571
N-[(2S)-2-(3,4-dichlorophenyl)pent-4-enyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 56976945
N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
CID 119442576
3-tert-butyl-5-(trifluoromethyl)benzamide
CID 176746545
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 43961226

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide (CID 154861203) is N-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide is CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)nn1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is SXMNFKSHORWSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF6N3O/c1-24(11-3-2-10(15)22-23-11)12(25)7-4-8(13(16,17)18)6-9(5-7)14(19,20)21/h2-6H,1H3.
What are the key properties of N-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide?
N-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 383.68 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-N-methyl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 154861203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).