5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide

C13H17FN2O3 — CID 106099116

IUPAC5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
SMILESCC1OCCC1(O)CNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H17FN2O3/c1-8-13(18,4-5-19-8)7-16-12(17)10-6-9(15)2-3-11(10)14/h2-3,6,8,18H,4-5,7,15H2,1H3,(H,16,17)
InChIKeyFKZMALKMBOPCTE-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.68
Rot. Bonds3

About 5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide

5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide (PubChem CID 106099116) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
PubChem CID106099116
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
SMILESCC1OCCC1(O)CNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H17FN2O3/c1-8-13(18,4-5-19-8)7-16-12(17)10-6-9(15)2-3-11(10)14/h2-3,6,8,18H,4-5,7,15H2,1H3,(H,16,17)
InChIKeyFKZMALKMBOPCTE-UHFFFAOYSA-N
XLogP0.68
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099080
3-amino-2,6-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099123
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216
2-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 106099096
2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301456
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methoxybenzamide
CID 107301442
5-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzamide
CID 107302287
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150
5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755659
3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methoxybenzamide
CID 107301628
2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide
CID 107301454
2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107302139

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide (CID 106099116) is 5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide is CC1OCCC1(O)CNC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The InChIKey is FKZMALKMBOPCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8-13(18,4-5-19-8)7-16-12(17)10-6-9(15)2-3-11(10)14/h2-3,6,8,18H,4-5,7,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide has a molecular weight of 268.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 106099116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).