2-carbamimidoyl-2-fluorobutanamide

C5H10FN3O — CID 55288683

IUPAC2-carbamimidoyl-2-fluorobutanamide
SMILES[H]/N=C(\N)C(F)(CC)C(N)=O
InChIInChI=1S/C5H10FN3O/c1-2-5(6,3(7)8)4(9)10/h2H2,1H3,(H3,7,8)(H2,9,10)
InChIKeyVGQMBBLXVVRWKB-UHFFFAOYSA-N
MW147.15 g/mol
LogP-0.47
Rot. Bonds3

About 2-carbamimidoyl-2-fluorobutanamide

2-carbamimidoyl-2-fluorobutanamide (PubChem CID 55288683) has the molecular formula C5H10FN3O and a molecular weight of 147.15 g/mol. Its IUPAC name is 2-carbamimidoyl-2-fluorobutanamide.

Molecular Properties

Compound Name2-carbamimidoyl-2-fluorobutanamide
PubChem CID55288683
Molecular FormulaC5H10FN3O
Molecular Weight147.15 g/mol
Exact Mass147.08
IUPAC Name2-carbamimidoyl-2-fluorobutanamide
SMILES[H]/N=C(\N)C(F)(CC)C(N)=O
InChIInChI=1S/C5H10FN3O/c1-2-5(6,3(7)8)4(9)10/h2H2,1H3,(H3,7,8)(H2,9,10)
InChIKeyVGQMBBLXVVRWKB-UHFFFAOYSA-N
XLogP-0.47
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-2-fluorobutanamide?
The IUPAC name of 2-carbamimidoyl-2-fluorobutanamide (CID 55288683) is 2-carbamimidoyl-2-fluorobutanamide.
What is the SMILES notation for 2-carbamimidoyl-2-fluorobutanamide?
The canonical SMILES for 2-carbamimidoyl-2-fluorobutanamide is [H]/N=C(\N)C(F)(CC)C(N)=O.
What is the InChIKey of 2-carbamimidoyl-2-fluorobutanamide?
The InChIKey is VGQMBBLXVVRWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN3O/c1-2-5(6,3(7)8)4(9)10/h2H2,1H3,(H3,7,8)(H2,9,10).
What are the key properties of 2-carbamimidoyl-2-fluorobutanamide?
2-carbamimidoyl-2-fluorobutanamide has a molecular weight of 147.15 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-2-fluorobutanamide is sourced from PubChem (CID 55288683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).