N-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide

C14H13ClFN3O — CID 90989113

IUPACN-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide
SMILESCNc1nc(C)cc(Cl)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13ClFN3O/c1-8-7-11(15)12(13(17-2)18-8)19-14(20)9-3-5-10(16)6-4-9/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyMZVGZCJJFQAZNM-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.48
Rot. Bonds3

About N-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide

N-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide (PubChem CID 90989113) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is N-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide
PubChem CID90989113
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC NameN-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide
SMILESCNc1nc(C)cc(Cl)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13ClFN3O/c1-8-7-11(15)12(13(17-2)18-8)19-14(20)9-3-5-10(16)6-4-9/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyMZVGZCJJFQAZNM-UHFFFAOYSA-N
XLogP3.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 60651944
N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
CID 60628486
5-chloro-N-(4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167429
2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
CID 104952423
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
CID 24591939
N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 107531327
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273
N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387184
5-chloro-N-(2-chloro-4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166998
N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 107530898
N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
CID 50881395
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide?
The IUPAC name of N-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide (CID 90989113) is N-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide is CNc1nc(C)cc(Cl)c1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide?
The InChIKey is MZVGZCJJFQAZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-8-7-11(15)12(13(17-2)18-8)19-14(20)9-3-5-10(16)6-4-9/h3-7H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide?
N-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide has a molecular weight of 293.73 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-6-methyl-2-(methylamino)-3-pyridinyl]-4-fluorobenzamide is sourced from PubChem (CID 90989113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).