3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide

C13H9F4N3O — CID 107645811

IUPAC3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
SMILESNC(=O)c1cccc(N)c1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H9F4N3O/c14-6-4-7(15)10(17)12(9(6)16)20-11-5(13(19)21)2-1-3-8(11)18/h1-4,20H,18H2,(H2,19,21)
InChIKeyYDJAWTZRKROHNR-UHFFFAOYSA-N
MW299.23 g/mol
LogP2.67
Rot. Bonds3

About 3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide

3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide (PubChem CID 107645811) has the molecular formula C13H9F4N3O and a molecular weight of 299.23 g/mol. Its IUPAC name is 3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide.

Molecular Properties

Compound Name3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
PubChem CID107645811
Molecular FormulaC13H9F4N3O
Molecular Weight299.23 g/mol
Exact Mass299.07
IUPAC Name3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
SMILESNC(=O)c1cccc(N)c1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H9F4N3O/c14-6-4-7(15)10(17)12(9(6)16)20-11-5(13(19)21)2-1-3-8(11)18/h1-4,20H,18H2,(H2,19,21)
InChIKeyYDJAWTZRKROHNR-UHFFFAOYSA-N
XLogP2.67
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3-amino-2-(2,3-difluoroanilino)benzamide
CID 112578278
3-amino-2-(3-fluoroanilino)benzamide
CID 112577784
3-amino-2-(3-chloro-4-fluoroanilino)benzamide
CID 112577949
3-amino-2-(2-cyano-4-fluoroanilino)benzamide
CID 115935439
3-amino-2-(4-methylsulfanylanilino)benzamide
CID 112577711
3-amino-2-(3,5-dimethoxyanilino)benzamide
CID 115933905
3-amino-2-(naphthalen-1-ylamino)benzamide
CID 115933816
3-amino-2-(3-iodo-4-methylanilino)benzamide
CID 114257938
3-amino-2-(2-chloro-4-iodoanilino)benzamide
CID 107607634
3-amino-2-(5-iodo-2-methylanilino)benzamide
CID 114257924
3-amino-2-[2-(dimethylamino)anilino]benzamide
CID 106760653
3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 112578046

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide?
The IUPAC name of 3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide (CID 107645811) is 3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide.
What is the SMILES notation for 3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide?
The canonical SMILES for 3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide is NC(=O)c1cccc(N)c1Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide?
The InChIKey is YDJAWTZRKROHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N3O/c14-6-4-7(15)10(17)12(9(6)16)20-11-5(13(19)21)2-1-3-8(11)18/h1-4,20H,18H2,(H2,19,21).
What are the key properties of 3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide?
3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide has a molecular weight of 299.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide is sourced from PubChem (CID 107645811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).