5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide

C10H11FN2O3 — CID 90936764

IUPAC5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide
SMILESNC(=O)c1cc(CC(O)C(N)=O)ccc1F
InChIInChI=1S/C10H11FN2O3/c11-7-2-1-5(3-6(7)9(12)15)4-8(14)10(13)16/h1-3,8,14H,4H2,(H2,12,15)(H2,13,16)
InChIKeyGAQKVMYZTBVIGA-UHFFFAOYSA-N
MW226.21 g/mol
LogP-0.69
Rot. Bonds4

About 5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide

5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide (PubChem CID 90936764) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide
PubChem CID90936764
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide
SMILESNC(=O)c1cc(CC(O)C(N)=O)ccc1F
InChIInChI=1S/C10H11FN2O3/c11-7-2-1-5(3-6(7)9(12)15)4-8(14)10(13)16/h1-3,8,14H,4H2,(H2,12,15)(H2,13,16)
InChIKeyGAQKVMYZTBVIGA-UHFFFAOYSA-N
XLogP-0.69
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide?
The IUPAC name of 5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide (CID 90936764) is 5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide.
What is the SMILES notation for 5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide?
The canonical SMILES for 5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide is NC(=O)c1cc(CC(O)C(N)=O)ccc1F.
What is the InChIKey of 5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide?
The InChIKey is GAQKVMYZTBVIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-7-2-1-5(3-6(7)9(12)15)4-8(14)10(13)16/h1-3,8,14H,4H2,(H2,12,15)(H2,13,16).
What are the key properties of 5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide?
5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide has a molecular weight of 226.21 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-hydroxy-3-oxopropyl)-2-fluorobenzamide is sourced from PubChem (CID 90936764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).