2,3,4-trifluoro-N-quinolin-5-ylbenzamide

C16H9F3N2O — CID 110868233

IUPAC2,3,4-trifluoro-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H9F3N2O/c17-11-7-6-10(14(18)15(11)19)16(22)21-13-5-1-4-12-9(13)3-2-8-20-12/h1-8H,(H,21,22)
InChIKeyORCKJEPRRBSSHV-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.90
Rot. Bonds2

About 2,3,4-trifluoro-N-quinolin-5-ylbenzamide

2,3,4-trifluoro-N-quinolin-5-ylbenzamide (PubChem CID 110868233) has the molecular formula C16H9F3N2O and a molecular weight of 302.26 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-quinolin-5-ylbenzamide
PubChem CID110868233
Molecular FormulaC16H9F3N2O
Molecular Weight302.26 g/mol
Exact Mass302.07
IUPAC Name2,3,4-trifluoro-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H9F3N2O/c17-11-7-6-10(14(18)15(11)19)16(22)21-13-5-1-4-12-9(13)3-2-8-20-12/h1-8H,(H,21,22)
InChIKeyORCKJEPRRBSSHV-UHFFFAOYSA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.90
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

4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide
CID 146080713
N-quinolin-5-yl-2-(trifluoromethyl)benzamide
CID 26242319
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
2-chloro-N-quinolin-5-ylfuran-3-carboxamide
CID 106685203
CID 73213052
CID 73213052
2-bromo-5-methyl-N-quinolin-5-ylbenzamide
CID 80955712
2-oxo-N-quinolin-5-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 24608497
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide
CID 110734426
2-methyl-6-phenyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 34130475
2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 55342888

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-quinolin-5-ylbenzamide?
The IUPAC name of 2,3,4-trifluoro-N-quinolin-5-ylbenzamide (CID 110868233) is 2,3,4-trifluoro-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-quinolin-5-ylbenzamide?
The canonical SMILES for 2,3,4-trifluoro-N-quinolin-5-ylbenzamide is O=C(Nc1cccc2ncccc12)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-quinolin-5-ylbenzamide?
The InChIKey is ORCKJEPRRBSSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O/c17-11-7-6-10(14(18)15(11)19)16(22)21-13-5-1-4-12-9(13)3-2-8-20-12/h1-8H,(H,21,22).
What are the key properties of 2,3,4-trifluoro-N-quinolin-5-ylbenzamide?
2,3,4-trifluoro-N-quinolin-5-ylbenzamide has a molecular weight of 302.26 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 110868233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).