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

C11H13FN2O3 — CID 90731981

IUPAC5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide
SMILESCOC(Cc1ccc(F)c(C(N)=O)c1)C(N)=O
InChIInChI=1S/C11H13FN2O3/c1-17-9(11(14)16)5-6-2-3-8(12)7(4-6)10(13)15/h2-4,9H,5H2,1H3,(H2,13,15)(H2,14,16)
InChIKeyZPSGLSTZPUCVDL-UHFFFAOYSA-N
MW240.23 g/mol
LogP-0.03
Rot. Bonds5

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

5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide (PubChem CID 90731981) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide
PubChem CID90731981
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide
SMILESCOC(Cc1ccc(F)c(C(N)=O)c1)C(N)=O
InChIInChI=1S/C11H13FN2O3/c1-17-9(11(14)16)5-6-2-3-8(12)7(4-6)10(13)15/h2-4,9H,5H2,1H3,(H2,13,15)(H2,14,16)
InChIKeyZPSGLSTZPUCVDL-UHFFFAOYSA-N
XLogP-0.03
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate
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5-ethanethioyl-2-fluorobenzamide
CID 143472419
methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate
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methyl (2S)-2-amino-3-(3-amino-4-fluorophenyl)propanoate
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methyl (2S)-2-amino-3-[3-(deuteriomethyl)-4-fluorophenyl]propanoate;hydrochloride
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CID 62393757

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide?
The IUPAC name of 5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide (CID 90731981) is 5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide.
What is the SMILES notation for 5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide?
The canonical SMILES for 5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide is COC(Cc1ccc(F)c(C(N)=O)c1)C(N)=O.
What is the InChIKey of 5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide?
The InChIKey is ZPSGLSTZPUCVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-17-9(11(14)16)5-6-2-3-8(12)7(4-6)10(13)15/h2-4,9H,5H2,1H3,(H2,13,15)(H2,14,16).
What are the key properties of 5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide?
5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide has a molecular weight of 240.23 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide is sourced from PubChem (CID 90731981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).