2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide

C18H13F3N2O2 — CID 113102253

IUPAC2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
SMILESO=C(NCCOc1cccc2cccnc12)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H13F3N2O2/c19-13-7-6-12(15(20)16(13)21)18(24)23-9-10-25-14-5-1-3-11-4-2-8-22-17(11)14/h1-8H,9-10H2,(H,23,24)
InChIKeyYWPMGLZGRVFAEF-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.46
Rot. Bonds5

About 2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide

2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide (PubChem CID 113102253) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
PubChem CID113102253
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
SMILESO=C(NCCOc1cccc2cccnc12)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H13F3N2O2/c19-13-7-6-12(15(20)16(13)21)18(24)23-9-10-25-14-5-1-3-11-4-2-8-22-17(11)14/h1-8H,9-10H2,(H,23,24)
InChIKeyYWPMGLZGRVFAEF-UHFFFAOYSA-N
XLogP3.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56585771
N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide
CID 39447567
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535021
1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975973
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
5-methoxy-2-methyl-N-(2-quinolin-8-yloxyethyl)pyridine-4-carboxamide
CID 146039784
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
CID 86949236
8-[4-(2-fluorophenoxy)butoxy]quinoline
CID 4302402
1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
CID 112970303

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide (CID 113102253) is 2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide is O=C(NCCOc1cccc2cccnc12)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide?
The InChIKey is YWPMGLZGRVFAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c19-13-7-6-12(15(20)16(13)21)18(24)23-9-10-25-14-5-1-3-11-4-2-8-22-17(11)14/h1-8H,9-10H2,(H,23,24).
What are the key properties of 2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide?
2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide has a molecular weight of 346.31 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide is sourced from PubChem (CID 113102253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).