5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide

C12H17FN2O3 — CID 54994795

IUPAC5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
SMILESCOCC(O)CN(C)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H17FN2O3/c1-15(6-9(16)7-18-2)12(17)10-5-8(14)3-4-11(10)13/h3-5,9,16H,6-7,14H2,1-2H3
InChIKeyMNWCJBNPUJBOAN-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.49
Rot. Bonds5

About 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide

5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide (PubChem CID 54994795) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
PubChem CID54994795
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
SMILESCOCC(O)CN(C)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H17FN2O3/c1-15(6-9(16)7-18-2)12(17)10-5-8(14)3-4-11(10)13/h3-5,9,16H,6-7,14H2,1-2H3
InChIKeyMNWCJBNPUJBOAN-UHFFFAOYSA-N
XLogP0.49
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994745
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
CID 54994939
5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 113347205
N-(2-bromo-3-methoxypropyl)-2-fluoro-N,5-dimethylbenzamide
CID 80671755
5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79844796
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368
2-amino-3-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-nitrobenzamide
CID 107200395
5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120626074

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide (CID 54994795) is 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide is COCC(O)CN(C)C(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
The InChIKey is MNWCJBNPUJBOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-15(6-9(16)7-18-2)12(17)10-5-8(14)3-4-11(10)13/h3-5,9,16H,6-7,14H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide has a molecular weight of 256.28 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide is sourced from PubChem (CID 54994795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).