2-amino-5-fluoro-N-(3-formamidopropyl)benzamide

C11H14FN3O2 — CID 82547187

IUPAC2-amino-5-fluoro-N-(3-formamidopropyl)benzamide
SMILESNc1ccc(F)cc1C(=O)NCCCNC=O
InChIInChI=1S/C11H14FN3O2/c12-8-2-3-10(13)9(6-8)11(17)15-5-1-4-14-7-16/h2-3,6-7H,1,4-5,13H2,(H,14,16)(H,15,17)
InChIKeyDULQKGLSRACKBE-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.27
Rot. Bonds6

About 2-amino-5-fluoro-N-(3-formamidopropyl)benzamide

2-amino-5-fluoro-N-(3-formamidopropyl)benzamide (PubChem CID 82547187) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(3-formamidopropyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(3-formamidopropyl)benzamide
PubChem CID82547187
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name2-amino-5-fluoro-N-(3-formamidopropyl)benzamide
SMILESNc1ccc(F)cc1C(=O)NCCCNC=O
InChIInChI=1S/C11H14FN3O2/c12-8-2-3-10(13)9(6-8)11(17)15-5-1-4-14-7-16/h2-3,6-7H,1,4-5,13H2,(H,14,16)(H,15,17)
InChIKeyDULQKGLSRACKBE-UHFFFAOYSA-N
XLogP0.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(3-formamidopropyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(3-formamidopropyl)benzamide (CID 82547187) is 2-amino-5-fluoro-N-(3-formamidopropyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(3-formamidopropyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(3-formamidopropyl)benzamide is Nc1ccc(F)cc1C(=O)NCCCNC=O.
What is the InChIKey of 2-amino-5-fluoro-N-(3-formamidopropyl)benzamide?
The InChIKey is DULQKGLSRACKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-8-2-3-10(13)9(6-8)11(17)15-5-1-4-14-7-16/h2-3,6-7H,1,4-5,13H2,(H,14,16)(H,15,17).
What are the key properties of 2-amino-5-fluoro-N-(3-formamidopropyl)benzamide?
2-amino-5-fluoro-N-(3-formamidopropyl)benzamide has a molecular weight of 239.25 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(3-formamidopropyl)benzamide is sourced from PubChem (CID 82547187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).