N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide

C12H15ClFNO3 — CID 114171329

IUPACN-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(NCCCOCCCl)c1ccc(O)cc1F
InChIInChI=1S/C12H15ClFNO3/c13-4-7-18-6-1-5-15-12(17)10-3-2-9(16)8-11(10)14/h2-3,8,16H,1,4-7H2,(H,15,17)
InChIKeyXPQFNNKAIVUBAW-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.91
Rot. Bonds7

About N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide

N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 114171329) has the molecular formula C12H15ClFNO3 and a molecular weight of 275.71 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide
PubChem CID114171329
Molecular FormulaC12H15ClFNO3
Molecular Weight275.71 g/mol
Exact Mass275.07
IUPAC NameN-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(NCCCOCCCl)c1ccc(O)cc1F
InChIInChI=1S/C12H15ClFNO3/c13-4-7-18-6-1-5-15-12(17)10-3-2-9(16)8-11(10)14/h2-3,8,16H,1,4-7H2,(H,15,17)
InChIKeyXPQFNNKAIVUBAW-UHFFFAOYSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 104929735
N-[3-(2-chloroethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171307
2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103940009
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-hydroxybenzamide
CID 106307111
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-methylbenzamide
CID 114171292
2-bromo-N-[3-(2-chloroethoxy)propyl]-5-fluorobenzamide
CID 106306823
N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
CID 107847909
5-chloro-N-[3-(2-chloroethoxy)propyl]-2-iodobenzamide
CID 114171392
N-(3-cyclopentylpropyl)-2-fluoro-4-hydroxybenzamide
CID 103940047
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide
CID 114297427
2-fluoro-4-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 103941343

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide (CID 114171329) is N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide is O=C(NCCCOCCCl)c1ccc(O)cc1F.
What is the InChIKey of N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is XPQFNNKAIVUBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3/c13-4-7-18-6-1-5-15-12(17)10-3-2-9(16)8-11(10)14/h2-3,8,16H,1,4-7H2,(H,15,17).
What are the key properties of N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide?
N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 275.71 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 114171329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).