N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide

C12H15F2NO3 — CID 171382844

IUPACN-butyl-3-(difluoromethoxy)-5-hydroxybenzamide
SMILESCCCCNC(=O)c1cc(O)cc(OC(F)F)c1
InChIInChI=1S/C12H15F2NO3/c1-2-3-4-15-11(17)8-5-9(16)7-10(6-8)18-12(13)14/h5-7,12,16H,2-4H2,1H3,(H,15,17)
InChIKeyDXOCSRQDAGJKEG-UHFFFAOYSA-N
MW259.25 g/mol
LogP2.52
Rot. Bonds6

About N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide

N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide (PubChem CID 171382844) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide.

Molecular Properties

Compound NameN-butyl-3-(difluoromethoxy)-5-hydroxybenzamide
PubChem CID171382844
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC NameN-butyl-3-(difluoromethoxy)-5-hydroxybenzamide
SMILESCCCCNC(=O)c1cc(O)cc(OC(F)F)c1
InChIInChI=1S/C12H15F2NO3/c1-2-3-4-15-11(17)8-5-9(16)7-10(6-8)18-12(13)14/h5-7,12,16H,2-4H2,1H3,(H,15,17)
InChIKeyDXOCSRQDAGJKEG-UHFFFAOYSA-N
XLogP2.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3,5-dihydroxybenzamide
CID 91715801
N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide
CID 78785705
N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide
CID 171382840
3-ethoxy-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 153269388
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
N-butyl-3-hydroxy-5-nitrobenzamide
CID 125116137
3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide
CID 108542562
3-bromo-1-[3-(difluoromethoxy)-5-hydroxyphenyl]propan-1-one
CID 134625271
N-butyl-3,5-dimethylbenzamide
CID 17190927
N-(3-chloropropyl)-3,5-dihydroxybenzamide
CID 107705954
N-(5-chloropentyl)-3-(difluoromethoxy)benzamide
CID 107321329
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide?
The IUPAC name of N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide (CID 171382844) is N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide.
What is the SMILES notation for N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide?
The canonical SMILES for N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide is CCCCNC(=O)c1cc(O)cc(OC(F)F)c1.
What is the InChIKey of N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide?
The InChIKey is DXOCSRQDAGJKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-2-3-4-15-11(17)8-5-9(16)7-10(6-8)18-12(13)14/h5-7,12,16H,2-4H2,1H3,(H,15,17).
What are the key properties of N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide?
N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide has a molecular weight of 259.25 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide is sourced from PubChem (CID 171382844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).