N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide

C11H15FN2O3 — CID 107017062

IUPACN-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide
SMILESNCCOCCNC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H15FN2O3/c12-8-2-1-3-9(15)10(8)11(16)14-5-7-17-6-4-13/h1-3,15H,4-7,13H2,(H,14,16)
InChIKeyIHNRASGPEJFBAL-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.24
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide

N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 107017062) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide
PubChem CID107017062
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide
SMILESNCCOCCNC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H15FN2O3/c12-8-2-1-3-9(15)10(8)11(16)14-5-7-17-6-4-13/h1-3,15H,4-7,13H2,(H,14,16)
InChIKeyIHNRASGPEJFBAL-UHFFFAOYSA-N
XLogP0.24
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 103890229
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
CID 63754284
N-[3-(2-aminoethoxy)propyl]-2,3-dihydroxybenzamide
CID 114171525
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxybenzamide
CID 104917526
methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate
CID 104916458
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide
CID 103890690
2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104916567
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
CID 107013328

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide (CID 107017062) is N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide is NCCOCCNC(=O)c1c(O)cccc1F.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is IHNRASGPEJFBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c12-8-2-1-3-9(15)10(8)11(16)14-5-7-17-6-4-13/h1-3,15H,4-7,13H2,(H,14,16).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide?
N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 242.25 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107017062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).