N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide

C11H15FN2O2 — CID 112606322

IUPACN-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cccc(F)c1O
InChIInChI=1S/C11H15FN2O2/c1-8(15)14-6-5-13-7-9-3-2-4-10(12)11(9)16/h2-4,13,16H,5-7H2,1H3,(H,14,15)
InChIKeyLKYJVWKJCFBRRV-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.76
Rot. Bonds5

About N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide

N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide (PubChem CID 112606322) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide
PubChem CID112606322
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cccc(F)c1O
InChIInChI=1S/C11H15FN2O2/c1-8(15)14-6-5-13-7-9-3-2-4-10(12)11(9)16/h2-4,13,16H,5-7H2,1H3,(H,14,15)
InChIKeyLKYJVWKJCFBRRV-UHFFFAOYSA-N
XLogP0.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]acetamide
CID 28684466
N-[2-[2-(2-fluorophenyl)ethylamino]ethyl]acetamide
CID 103604204
2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl carbamate
CID 112607237
3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115972838
N-[2-[(2,4-difluorophenyl)methylamino]ethyl]acetamide
CID 28684424
2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
CID 112606435
N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
CID 28684550
2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol
CID 103948161
3-[2-[(2,3-dihydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83116209
2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol
CID 103948313
N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide
CID 38450332

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide (CID 112606322) is N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide is CC(=O)NCCNCc1cccc(F)c1O.
What is the InChIKey of N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide?
The InChIKey is LKYJVWKJCFBRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-8(15)14-6-5-13-7-9-3-2-4-10(12)11(9)16/h2-4,13,16H,5-7H2,1H3,(H,14,15).
What are the key properties of N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide?
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide has a molecular weight of 226.25 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide is sourced from PubChem (CID 112606322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).