N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide

C11H15FN2O2 — CID 115299640

IUPACN-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
SMILESCC(N)CN(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C11H15FN2O2/c1-7(13)6-14(2)11(16)9-5-8(12)3-4-10(9)15/h3-5,7,15H,6,13H2,1-2H3
InChIKeyGSMGHWPADZSALF-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.95
Rot. Bonds3

About N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide

N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide (PubChem CID 115299640) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
PubChem CID115299640
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
SMILESCC(N)CN(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C11H15FN2O2/c1-7(13)6-14(2)11(16)9-5-8(12)3-4-10(9)15/h3-5,7,15H,6,13H2,1-2H3
InChIKeyGSMGHWPADZSALF-UHFFFAOYSA-N
XLogP0.95
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide
CID 107726322
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
CID 117044863
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 113281484
N-(2-bromopropyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107016758
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide
CID 54991847
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
N-(1-amino-1-sulfanylidenepropan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 113281571
2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 107722894

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide (CID 115299640) is N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide is CC(N)CN(C)C(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The InChIKey is GSMGHWPADZSALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(13)6-14(2)11(16)9-5-8(12)3-4-10(9)15/h3-5,7,15H,6,13H2,1-2H3.
What are the key properties of N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide has a molecular weight of 226.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 115299640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).