N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide

C14H10ClF3N2O — CID 102979678

IUPACN-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
SMILESCc1cnc(Cl)c(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10ClF3N2O/c1-8-5-11(12(15)19-7-8)20-13(21)9-3-2-4-10(6-9)14(16,17)18/h2-7H,1H3,(H,20,21)
InChIKeyZXNHQIULXOFLMV-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.31
Rot. Bonds2

About N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide

N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide (PubChem CID 102979678) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
PubChem CID102979678
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
SMILESCc1cnc(Cl)c(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10ClF3N2O/c1-8-5-11(12(15)19-7-8)20-13(21)9-3-2-4-10(6-9)14(16,17)18/h2-7H,1H3,(H,20,21)
InChIKeyZXNHQIULXOFLMV-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.31
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-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979543
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide
CID 102979790
N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide
CID 70860526
N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 174537026
2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68846956
N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62909273
N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide
CID 102979689
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
N-(5-amino-3-methyl-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115910718

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide (CID 102979678) is N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide is Cc1cnc(Cl)c(NC(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide?
The InChIKey is ZXNHQIULXOFLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c1-8-5-11(12(15)19-7-8)20-13(21)9-3-2-4-10(6-9)14(16,17)18/h2-7H,1H3,(H,20,21).
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide?
N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide has a molecular weight of 314.69 g/mol, XLogP of 4.31, 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-(trifluoromethyl)benzamide is sourced from PubChem (CID 102979678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).