N-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide

C14H12ClFN2O — CID 75537596

IUPACN-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide
SMILESCc1ncc(NC(=O)c2ccc(F)cc2)c(C)c1Cl
InChIInChI=1S/C14H12ClFN2O/c1-8-12(7-17-9(2)13(8)15)18-14(19)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H,18,19)
InChIKeyBKGFTKFKCYUBRQ-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.74
Rot. Bonds2

About N-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide

N-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide (PubChem CID 75537596) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide
PubChem CID75537596
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide
SMILESCc1ncc(NC(=O)c2ccc(F)cc2)c(C)c1Cl
InChIInChI=1S/C14H12ClFN2O/c1-8-12(7-17-9(2)13(8)15)18-14(19)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H,18,19)
InChIKeyBKGFTKFKCYUBRQ-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-4,6-dimethyl-3-pyridinyl)furan-2-carboxamide
CID 75537595
4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
4-fluoro-N-(3-iodo-2-methylphenyl)benzamide
CID 113368778
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113018688
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
CID 60628486
4-fluoro-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61036384
methyl 6-chloro-5-[(4-fluorobenzoyl)amino]pyrazine-2-carboxylate
CID 175999287
N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 133404406
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide?
The IUPAC name of N-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide (CID 75537596) is N-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide.
What is the SMILES notation for N-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide?
The canonical SMILES for N-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide is Cc1ncc(NC(=O)c2ccc(F)cc2)c(C)c1Cl.
What is the InChIKey of N-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide?
The InChIKey is BKGFTKFKCYUBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-12(7-17-9(2)13(8)15)18-14(19)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H,18,19).
What are the key properties of N-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide?
N-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide has a molecular weight of 278.71 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide is sourced from PubChem (CID 75537596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).