N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide

C15H15FN2O2 — CID 107014627

IUPACN-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide
SMILESCC(N)c1ccccc1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C15H15FN2O2/c1-9(17)10-5-2-3-7-12(10)18-15(20)14-11(16)6-4-8-13(14)19/h2-9,19H,17H2,1H3,(H,18,20)
InChIKeyOOYVLLOMWNWQNM-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.80
Rot. Bonds3

About N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide

N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 107014627) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide
PubChem CID107014627
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide
SMILESCC(N)c1ccccc1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C15H15FN2O2/c1-9(17)10-5-2-3-7-12(10)18-15(20)14-11(16)6-4-8-13(14)19/h2-9,19H,17H2,1H3,(H,18,20)
InChIKeyOOYVLLOMWNWQNM-UHFFFAOYSA-N
XLogP2.80
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-hydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 104916685
N-[2-(1-chloroethyl)phenyl]-2-fluoro-6-hydroxybenzamide
CID 107016832
2-fluoro-6-hydroxy-N-(3-hydroxy-2-methylphenyl)benzamide
CID 107015430
N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide
CID 16785051
N-[2-(1-aminoethyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 16791890
2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
CID 107013606
N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide
CID 107015784
2-fluoro-6-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 104917973
N-[2-(1-aminoethyl)phenyl]-3-hydroxypyridine-4-carboxamide
CID 81445316
N-(2,5-difluoro-4-methylphenyl)-2-fluoro-6-hydroxybenzamide
CID 107015415
N-[1-(2-chlorophenyl)ethyl]-2-fluoro-6-hydroxybenzamide
CID 104916492
2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 138811101

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide (CID 107014627) is N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide is CC(N)c1ccccc1NC(=O)c1c(O)cccc1F.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is OOYVLLOMWNWQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9(17)10-5-2-3-7-12(10)18-15(20)14-11(16)6-4-8-13(14)19/h2-9,19H,17H2,1H3,(H,18,20).
What are the key properties of N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide?
N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107014627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).