4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide

C13H8F4N2O — CID 107641222

IUPAC4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C13H8F4N2O/c14-8-5-9(15)11(17)12(10(8)16)19-13(20)6-1-3-7(18)4-2-6/h1-5H,18H2,(H,19,20)
InChIKeyAWABQRRQUJOMIO-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.08
Rot. Bonds2

About 4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide

4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide (PubChem CID 107641222) has the molecular formula C13H8F4N2O and a molecular weight of 284.21 g/mol. Its IUPAC name is 4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide
PubChem CID107641222
Molecular FormulaC13H8F4N2O
Molecular Weight284.21 g/mol
Exact Mass284.06
IUPAC Name4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C13H8F4N2O/c14-8-5-9(15)11(17)12(10(8)16)19-13(20)6-1-3-7(18)4-2-6/h1-5H,18H2,(H,19,20)
InChIKeyAWABQRRQUJOMIO-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
CID 107642987
3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107953830
5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107641249
4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
CID 50880717
4-amino-N-(4-amino-2,6-dichlorophenyl)benzamide
CID 20565335
6-bromo-N-(2,3,5,6-tetrafluorophenyl)pyridine-3-carboxamide
CID 107641573
4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 78909417
3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 103600288
N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide
CID 18072371
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide
CID 134359397

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The IUPAC name of 4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide (CID 107641222) is 4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide.
What is the SMILES notation for 4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The canonical SMILES for 4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide is Nc1ccc(C(=O)Nc2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of 4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The InChIKey is AWABQRRQUJOMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O/c14-8-5-9(15)11(17)12(10(8)16)19-13(20)6-1-3-7(18)4-2-6/h1-5H,18H2,(H,19,20).
What are the key properties of 4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide?
4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide has a molecular weight of 284.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide is sourced from PubChem (CID 107641222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).