N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide

C12H15ClFNO2 — CID 107321513

IUPACN-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NCCCCCCl)c1c(O)cccc1F
InChIInChI=1S/C12H15ClFNO2/c13-7-2-1-3-8-15-12(17)11-9(14)5-4-6-10(11)16/h4-6,16H,1-3,7-8H2,(H,15,17)
InChIKeyDGQLNJFWPAYSQH-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.67
Rot. Bonds6

About N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide

N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide (PubChem CID 107321513) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
PubChem CID107321513
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC NameN-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NCCCCCCl)c1c(O)cccc1F
InChIInChI=1S/C12H15ClFNO2/c13-7-2-1-3-8-15-12(17)11-9(14)5-4-6-10(11)16/h4-6,16H,1-3,7-8H2,(H,15,17)
InChIKeyDGQLNJFWPAYSQH-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
CID 114008519
N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide
CID 107321246
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
2-chloro-N-(5-chloropentyl)-3-fluorobenzamide
CID 107321260
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
CID 107013328
N-(6-chlorohexyl)-2,6-dimethylbenzamide
CID 114026632
N-(6-chlorohexyl)-2-(2,3-difluorophenyl)acetamide
CID 107846727
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
N-(4-chlorobutyl)-2,3,4-trifluorobenzamide
CID 106845363
N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide
CID 107016840

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide (CID 107321513) is N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide is O=C(NCCCCCCl)c1c(O)cccc1F.
What is the InChIKey of N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is DGQLNJFWPAYSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c13-7-2-1-3-8-15-12(17)11-9(14)5-4-6-10(11)16/h4-6,16H,1-3,7-8H2,(H,15,17).
What are the key properties of N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide?
N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 259.71 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107321513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).