2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide

C14H8F5NO — CID 2397902

IUPAC2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C14H8F5NO/c1-6-4-7(15)2-3-10(6)20-14(21)8-5-9(16)12(18)13(19)11(8)17/h2-5H,1H3,(H,20,21)
InChIKeyLXQGWRSBDKFFEU-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.94
Rot. Bonds2

About 2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide

2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide (PubChem CID 2397902) has the molecular formula C14H8F5NO and a molecular weight of 301.21 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide
PubChem CID2397902
Molecular FormulaC14H8F5NO
Molecular Weight301.21 g/mol
Exact Mass301.05
IUPAC Name2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C14H8F5NO/c1-6-4-7(15)2-3-10(6)20-14(21)8-5-9(16)12(18)13(19)11(8)17/h2-5H,1H3,(H,20,21)
InChIKeyLXQGWRSBDKFFEU-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.94
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

1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide
CID 107021333
N-(4-fluoro-2-methylphenyl)-2-iodobenzamide
CID 7924517
N-(4-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7751902
methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate
CID 7920475
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000
N-(4-fluoro-2-methylphenyl)-4,5-dimethylthiophene-3-carboxamide
CID 17069419
2-amino-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384562
2,3,4,5-tetrafluoro-N-[3-[(2,3,4,5-tetrafluorobenzoyl)amino]naphthalen-2-yl]benzamide
CID 3686160
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide (CID 2397902) is 2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide is Cc1cc(F)ccc1NC(=O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide?
The InChIKey is LXQGWRSBDKFFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO/c1-6-4-7(15)2-3-10(6)20-14(21)8-5-9(16)12(18)13(19)11(8)17/h2-5H,1H3,(H,20,21).
What are the key properties of 2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide?
2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide has a molecular weight of 301.21 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 2397902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).