N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide

C18H13ClFN3O — CID 139003098

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1cnnc(-c2ccccc2)c1
InChIInChI=1S/C18H13ClFN3O/c19-15-7-4-8-16(20)14(15)11-21-18(24)13-9-17(23-22-10-13)12-5-2-1-3-6-12/h1-10H,11H2,(H,21,24)
InChIKeyOBMXNLFJMQJSRM-UHFFFAOYSA-N
MW341.77 g/mol
LogP3.87
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide (PubChem CID 139003098) has the molecular formula C18H13ClFN3O and a molecular weight of 341.77 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide
PubChem CID139003098
Molecular FormulaC18H13ClFN3O
Molecular Weight341.77 g/mol
Exact Mass341.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1cnnc(-c2ccccc2)c1
InChIInChI=1S/C18H13ClFN3O/c19-15-7-4-8-16(20)14(15)11-21-18(24)13-9-17(23-22-10-13)12-5-2-1-3-6-12/h1-10H,11H2,(H,21,24)
InChIKeyOBMXNLFJMQJSRM-UHFFFAOYSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 68650924
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 2804312
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 23019893
N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide
CID 146637557
N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 46091915
N-[(2-chloro-6-fluorophenyl)methyl]-2-hydroxyacetamide
CID 82127264
N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide
CID 4811592
N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-4-pyrazolidin-4-ylbenzamide
CID 131636009
N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131889223
4-tert-butyl-N-[(2-chloro-6-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25190403
N-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 118753306

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide (CID 139003098) is N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide is O=C(NCc1c(F)cccc1Cl)c1cnnc(-c2ccccc2)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide?
The InChIKey is OBMXNLFJMQJSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O/c19-15-7-4-8-16(20)14(15)11-21-18(24)13-9-17(23-22-10-13)12-5-2-1-3-6-12/h1-10H,11H2,(H,21,24).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide has a molecular weight of 341.77 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide is sourced from PubChem (CID 139003098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).