2-amino-N-cyano-5-fluorobenzamide

C8H6FN3O — CID 79195015

IUPAC2-amino-N-cyano-5-fluorobenzamide
SMILESN#CNC(=O)c1cc(F)ccc1N
InChIInChI=1S/C8H6FN3O/c9-5-1-2-7(11)6(3-5)8(13)12-4-10/h1-3H,11H2,(H,12,13)
InChIKeyGUFKCMFIOFWXRZ-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.62
Rot. Bonds1

About 2-amino-N-cyano-5-fluorobenzamide

2-amino-N-cyano-5-fluorobenzamide (PubChem CID 79195015) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-amino-N-cyano-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-cyano-5-fluorobenzamide
PubChem CID79195015
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name2-amino-N-cyano-5-fluorobenzamide
SMILESN#CNC(=O)c1cc(F)ccc1N
InChIInChI=1S/C8H6FN3O/c9-5-1-2-7(11)6(3-5)8(13)12-4-10/h1-3H,11H2,(H,12,13)
InChIKeyGUFKCMFIOFWXRZ-UHFFFAOYSA-N
XLogP0.62
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1-cyanopropan-2-yl)-5-fluorobenzamide
CID 62093542
2-amino-N-tert-butyl-5-fluorobenzamide
CID 43132548
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 106179911
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
N-cyano-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104871
2-amino-5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117687
2-amino-5-fluoro-N-(3-methylphenyl)benzamide
CID 43132634
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyano-5-fluorobenzamide?
The IUPAC name of 2-amino-N-cyano-5-fluorobenzamide (CID 79195015) is 2-amino-N-cyano-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-cyano-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-cyano-5-fluorobenzamide is N#CNC(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-cyano-5-fluorobenzamide?
The InChIKey is GUFKCMFIOFWXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-5-1-2-7(11)6(3-5)8(13)12-4-10/h1-3H,11H2,(H,12,13).
What are the key properties of 2-amino-N-cyano-5-fluorobenzamide?
2-amino-N-cyano-5-fluorobenzamide has a molecular weight of 179.15 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyano-5-fluorobenzamide is sourced from PubChem (CID 79195015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).