3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide

C13H9F3N2O — CID 63327399

IUPAC3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H9F3N2O/c1-7-2-3-17-6-11(7)18-13(19)8-4-9(14)12(16)10(15)5-8/h2-6H,1H3,(H,18,19)
InChIKeyINGGNRXRDHCIAX-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.06
Rot. Bonds2

About 3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide

3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide (PubChem CID 63327399) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide
PubChem CID63327399
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H9F3N2O/c1-7-2-3-17-6-11(7)18-13(19)8-4-9(14)12(16)10(15)5-8/h2-6H,1H3,(H,18,19)
InChIKeyINGGNRXRDHCIAX-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 55203428
2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 155976888
5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503
5-fluoro-6-methyl-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 146080352
3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide
CID 63326386
3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63327302
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63326435
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
N-(4-methyl-3-pyridinyl)-1H-indole-6-carboxamide
CID 55225910

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide (CID 63327399) is 3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide is Cc1ccncc1NC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide?
The InChIKey is INGGNRXRDHCIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c1-7-2-3-17-6-11(7)18-13(19)8-4-9(14)12(16)10(15)5-8/h2-6H,1H3,(H,18,19).
What are the key properties of 3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide?
3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide has a molecular weight of 266.22 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 63327399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).