2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide

C13H7F5N2O — CID 62810133

IUPAC2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
SMILESNc1cc(F)c(F)cc1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H7F5N2O/c14-7-3-6(11(19)4-8(7)15)13(21)20-5-1-9(16)12(18)10(17)2-5/h1-4H,19H2,(H,20,21)
InChIKeyUPBRHRHUCJYLPT-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.22
Rot. Bonds2

About 2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide

2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 62810133) has the molecular formula C13H7F5N2O and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID62810133
Molecular FormulaC13H7F5N2O
Molecular Weight302.20 g/mol
Exact Mass302.05
IUPAC Name2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
SMILESNc1cc(F)c(F)cc1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H7F5N2O/c14-7-3-6(11(19)4-8(7)15)13(21)20-5-1-9(16)12(18)10(17)2-5/h1-4H,19H2,(H,20,21)
InChIKeyUPBRHRHUCJYLPT-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
CID 83077757
2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide
CID 62913368
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62809093
2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571179
3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 150244858
5-chloro-2-hydrazinyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62812110
4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide
CID 82811248
2-amino-6-chloro-N-(3,4,5-trifluorophenyl)benzamide
CID 63658626
5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 169122460
4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 115745629

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide (CID 62810133) is 2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide is Nc1cc(F)c(F)cc1C(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is UPBRHRHUCJYLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5N2O/c14-7-3-6(11(19)4-8(7)15)13(21)20-5-1-9(16)12(18)10(17)2-5/h1-4H,19H2,(H,20,21).
What are the key properties of 2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide?
2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 302.20 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 62810133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).