N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide

C13H8ClF3N2O — CID 107301415

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide
SMILESCc1nc(Cl)ccc1NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H8ClF3N2O/c1-6-10(2-3-11(14)18-6)19-13(20)7-4-8(15)12(17)9(16)5-7/h2-5H,1H3,(H,19,20)
InChIKeyAJUSFRBUSOROAD-UHFFFAOYSA-N
MW300.67 g/mol
LogP3.71
Rot. Bonds2

About N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide

N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide (PubChem CID 107301415) has the molecular formula C13H8ClF3N2O and a molecular weight of 300.67 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide
PubChem CID107301415
Molecular FormulaC13H8ClF3N2O
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide
SMILESCc1nc(Cl)ccc1NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H8ClF3N2O/c1-6-10(2-3-11(14)18-6)19-13(20)7-4-8(15)12(17)9(16)5-7/h2-5H,1H3,(H,19,20)
InChIKeyAJUSFRBUSOROAD-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.67
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide
CID 107301004
N-(6-chloro-2-methyl-3-pyridinyl)-2-fluoro-4-hydroxybenzamide
CID 107301250
4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301135
N-(6-chloro-2-methyl-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 107301196
N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylbenzamide
CID 107301269
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide
CID 107301164
5-chloro-N-(6-chloro-2-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107329768
6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine
CID 107266358
3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327399
N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 63188572
N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 107301433
2,6-dichloro-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 26722050

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide (CID 107301415) is N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide is Cc1nc(Cl)ccc1NC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide?
The InChIKey is AJUSFRBUSOROAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O/c1-6-10(2-3-11(14)18-6)19-13(20)7-4-8(15)12(17)9(16)5-7/h2-5H,1H3,(H,19,20).
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide?
N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide has a molecular weight of 300.67 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide is sourced from PubChem (CID 107301415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).