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

C13H7F5N2O — CID 63185686

IUPAC4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
SMILESNc1c(F)cc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1F
InChIInChI=1S/C13H7F5N2O/c14-7-3-6(4-8(15)11(7)18)20-13(21)5-1-9(16)12(19)10(17)2-5/h1-4H,19H2,(H,20,21)
InChIKeyZYHMHJLXLMSPKD-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.22
Rot. Bonds2

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

4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 63185686) has the molecular formula C13H7F5N2O and a molecular weight of 302.20 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID63185686
Molecular FormulaC13H7F5N2O
Molecular Weight302.20 g/mol
Exact Mass302.05
IUPAC Name4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
SMILESNc1c(F)cc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1F
InChIInChI=1S/C13H7F5N2O/c14-7-3-6(4-8(15)11(7)18)20-13(21)5-1-9(16)12(19)10(17)2-5/h1-4H,19H2,(H,20,21)
InChIKeyZYHMHJLXLMSPKD-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-dichloro-N-(3,4,5-trifluorophenyl)benzamide
CID 82811248
3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782946
N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide
CID 63183667
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 144890543
N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide
CID 82881371
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62809093
2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 62810133
3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid
CID 63183542
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide
CID 63187596
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 103957233

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide (CID 63185686) is 4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide is Nc1c(F)cc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1F.
What is the InChIKey of 4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is ZYHMHJLXLMSPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5N2O/c14-7-3-6(4-8(15)11(7)18)20-13(21)5-1-9(16)12(19)10(17)2-5/h1-4H,19H2,(H,20,21).
What are the key properties of 4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide?
4-amino-3,5-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 4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 63185686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).