N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide

C13H6F5NO — CID 28560277

IUPACN-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H6F5NO/c14-6-1-3-8(15)10(5-6)19-13(20)7-2-4-9(16)12(18)11(7)17/h1-5H,(H,19,20)
InChIKeyFBLOTTYPJRXXNH-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.63
Rot. Bonds2

About N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide

N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide (PubChem CID 28560277) has the molecular formula C13H6F5NO and a molecular weight of 287.19 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
PubChem CID28560277
Molecular FormulaC13H6F5NO
Molecular Weight287.19 g/mol
Exact Mass287.04
IUPAC NameN-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H6F5NO/c14-6-1-3-8(15)10(5-6)19-13(20)7-2-4-9(16)12(18)11(7)17/h1-5H,(H,19,20)
InChIKeyFBLOTTYPJRXXNH-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
2,5-dichloro-N-(2,5-difluorophenyl)thiophene-3-carboxamide
CID 51191647
4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide
CID 112702327
N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide
CID 81024059
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
CID 106834566
N-(2,5-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 7958863
5-chloro-N-(2,5-difluorophenyl)-2-(methylamino)benzamide
CID 62172768
3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
CID 60748401

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide?
The IUPAC name of N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide (CID 28560277) is N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide is O=C(Nc1cc(F)ccc1F)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide?
The InChIKey is FBLOTTYPJRXXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F5NO/c14-6-1-3-8(15)10(5-6)19-13(20)7-2-4-9(16)12(18)11(7)17/h1-5H,(H,19,20).
What are the key properties of N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide?
N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide has a molecular weight of 287.19 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide is sourced from PubChem (CID 28560277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).