N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide

C9H9ClFNO2 — CID 107016788

IUPACN-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NCCCl)c1c(O)cccc1F
InChIInChI=1S/C9H9ClFNO2/c10-4-5-12-9(14)8-6(11)2-1-3-7(8)13/h1-3,13H,4-5H2,(H,12,14)
InChIKeyRXTXEVAMGRUZCU-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.50
Rot. Bonds3

About N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide

N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide (PubChem CID 107016788) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
PubChem CID107016788
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC NameN-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NCCCl)c1c(O)cccc1F
InChIInChI=1S/C9H9ClFNO2/c10-4-5-12-9(14)8-6(11)2-1-3-7(8)13/h1-3,13H,4-5H2,(H,12,14)
InChIKeyRXTXEVAMGRUZCU-UHFFFAOYSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107321513
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide
CID 107016840
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
CID 107013328
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxybenzamide
CID 104917526
N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
CID 114008519
methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate
CID 104916458
N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide
CID 107017062
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 100615294
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016993

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide (CID 107016788) is N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide is O=C(NCCCl)c1c(O)cccc1F.
What is the InChIKey of N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is RXTXEVAMGRUZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c10-4-5-12-9(14)8-6(11)2-1-3-7(8)13/h1-3,13H,4-5H2,(H,12,14).
What are the key properties of N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide?
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 217.63 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107016788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).