N-carbamimidoyl-N-fluorobenzamide

C8H8FN3O — CID 140974582

IUPACN-carbamimidoyl-N-fluorobenzamide
SMILES[H]/N=C(\N)N(F)C(=O)c1ccccc1
InChIInChI=1S/C8H8FN3O/c9-12(8(10)11)7(13)6-4-2-1-3-5-6/h1-5H,(H3,10,11)
InChIKeyWOGRGJJZTNLIHL-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.91
Rot. Bonds1

About N-carbamimidoyl-N-fluorobenzamide

N-carbamimidoyl-N-fluorobenzamide (PubChem CID 140974582) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is N-carbamimidoyl-N-fluorobenzamide.

Molecular Properties

Compound NameN-carbamimidoyl-N-fluorobenzamide
PubChem CID140974582
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC NameN-carbamimidoyl-N-fluorobenzamide
SMILES[H]/N=C(\N)N(F)C(=O)c1ccccc1
InChIInChI=1S/C8H8FN3O/c9-12(8(10)11)7(13)6-4-2-1-3-5-6/h1-5H,(H3,10,11)
InChIKeyWOGRGJJZTNLIHL-UHFFFAOYSA-N
XLogP0.91
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-carbamimidoyl-N-hydroxybenzamide
CID 142670447
1-benzoyl-1-(dimethylamino)guanidine
CID 67736617
N-carbamimidoyl-N-ethylbenzamide
CID 138105289
2-imino-2-phenylacetamide
CID 18431878
N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide
CID 70407062
1,1-dibenzylguanidine
CID 9487
benzenecarboximidamide;sulfane
CID 172701796
benzenecarboximidamide;hydron;chloride
CID 66824376
[amino(phenyl)methylidene]carbamic acid
CID 54409873
benzenecarboximidamide;propanoic acid
CID 159833627
benzenecarboximidamide;toluene
CID 158219006
1-acetamido-1-phenylguanidine
CID 54163778

Frequently Asked Questions

What is the IUPAC name of N-carbamimidoyl-N-fluorobenzamide?
The IUPAC name of N-carbamimidoyl-N-fluorobenzamide (CID 140974582) is N-carbamimidoyl-N-fluorobenzamide.
What is the SMILES notation for N-carbamimidoyl-N-fluorobenzamide?
The canonical SMILES for N-carbamimidoyl-N-fluorobenzamide is [H]/N=C(\N)N(F)C(=O)c1ccccc1.
What is the InChIKey of N-carbamimidoyl-N-fluorobenzamide?
The InChIKey is WOGRGJJZTNLIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O/c9-12(8(10)11)7(13)6-4-2-1-3-5-6/h1-5H,(H3,10,11).
What are the key properties of N-carbamimidoyl-N-fluorobenzamide?
N-carbamimidoyl-N-fluorobenzamide has a molecular weight of 181.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-N-fluorobenzamide is sourced from PubChem (CID 140974582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).