2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide

C13H5F6NO — CID 134617305

IUPAC2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide
SMILESNC(=O)c1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1F
InChIInChI=1S/C13H5F6NO/c14-7-4(2-1-3-5(7)13(20)21)6-8(15)10(17)12(19)11(18)9(6)16/h1-3H,(H2,20,21)
InChIKeyZDPCCIORLSUSRS-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.29
Rot. Bonds2

About 2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide

2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide (PubChem CID 134617305) has the molecular formula C13H5F6NO and a molecular weight of 305.18 g/mol. Its IUPAC name is 2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide
PubChem CID134617305
Molecular FormulaC13H5F6NO
Molecular Weight305.18 g/mol
Exact Mass305.03
IUPAC Name2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide
SMILESNC(=O)c1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1F
InChIInChI=1S/C13H5F6NO/c14-7-4(2-1-3-5(7)13(20)21)6-8(15)10(17)12(19)11(18)9(6)16/h1-3H,(H2,20,21)
InChIKeyZDPCCIORLSUSRS-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-carbamoyl-2-fluorobenzoic acid
CID 91004020
2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide
CID 89422005
2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
CID 87415927
9H-fluorene-1,8-dicarboxamide
CID 21019291
copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride
CID 173026508
2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide
CID 54284404
2-(2,6-dichlorophenyl)benzamide
CID 67032434
2-hydroxybenzene-1,3-dicarboxamide
CID 22594874
5-amino-2-(2,6-difluorophenyl)benzamide
CID 175316606
2-fluoro-3-phenoxybenzamide
CID 58104414
2-(hydroxymethyl)benzene-1,3-dicarboxamide
CID 70473851
2-fluorobenzamide;dihydrochloride
CID 22563899

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide?
The IUPAC name of 2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide (CID 134617305) is 2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide.
What is the SMILES notation for 2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide?
The canonical SMILES for 2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide is NC(=O)c1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1F.
What is the InChIKey of 2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide?
The InChIKey is ZDPCCIORLSUSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F6NO/c14-7-4(2-1-3-5(7)13(20)21)6-8(15)10(17)12(19)11(18)9(6)16/h1-3H,(H2,20,21).
What are the key properties of 2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide?
2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide has a molecular weight of 305.18 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide is sourced from PubChem (CID 134617305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).