N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide

C14H12ClFN2O — CID 102979859

IUPACN-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide
SMILESCc1cnc(Cl)c(NC(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-5-12(13(15)17-7-8)18-14(19)10-4-3-9(2)11(16)6-10/h3-7H,1-2H3,(H,18,19)
InChIKeyZMIVBPSHVFAGFD-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.74
Rot. Bonds2

About N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide

N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide (PubChem CID 102979859) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide
PubChem CID102979859
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide
SMILESCc1cnc(Cl)c(NC(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-5-12(13(15)17-7-8)18-14(19)10-4-3-9(2)11(16)6-10/h3-7H,1-2H3,(H,18,19)
InChIKeyZMIVBPSHVFAGFD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-methyl-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 102979705
N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide
CID 102979689
N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
CID 102979678
N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide
CID 102979790
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methylbenzamide
CID 16771232
3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 9087267
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979543
N-(2-chloro-5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 102979687
N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
CID 17407608
2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 102979594

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide (CID 102979859) is N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide is Cc1cnc(Cl)c(NC(=O)c2ccc(C)c(F)c2)c1.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide?
The InChIKey is ZMIVBPSHVFAGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-5-12(13(15)17-7-8)18-14(19)10-4-3-9(2)11(16)6-10/h3-7H,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide?
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide 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-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 102979859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).