2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide

C14H8F5N3O — CID 3395739

IUPAC2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)NN=Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H8F5N3O/c15-9-7(10(16)12(18)13(19)11(9)17)5-21-22-14(23)6-3-1-2-4-8(6)20/h1-5H,20H2,(H,22,23)
InChIKeyDSOSJTPGIKBGCR-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.73
Rot. Bonds3

About 2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide

2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide (PubChem CID 3395739) has the molecular formula C14H8F5N3O and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
PubChem CID3395739
Molecular FormulaC14H8F5N3O
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC Name2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)NN=Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H8F5N3O/c15-9-7(10(16)12(18)13(19)11(9)17)5-21-22-14(23)6-3-1-2-4-8(6)20/h1-5H,20H2,(H,22,23)
InChIKeyDSOSJTPGIKBGCR-UHFFFAOYSA-N
XLogP2.73
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 4683367
2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 680916
2-amino-N-(ethylideneamino)benzamide
CID 171131868
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 135699493
2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide
CID 1355503
2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 87421764
2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5407743
2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 110337163
2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 110512126
2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 110337136
2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide
CID 5397551

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide (CID 3395739) is 2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide is Nc1ccccc1C(=O)NN=Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide?
The InChIKey is DSOSJTPGIKBGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N3O/c15-9-7(10(16)12(18)13(19)11(9)17)5-21-22-14(23)6-3-1-2-4-8(6)20/h1-5H,20H2,(H,22,23).
What are the key properties of 2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide?
2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide has a molecular weight of 329.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 3395739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).