2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide

C14H19F2NO3 — CID 103918835

IUPAC2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
SMILESO=C(NCCCCCCO)c1ccccc1OC(F)F
InChIInChI=1S/C14H19F2NO3/c15-14(16)20-12-8-4-3-7-11(12)13(19)17-9-5-1-2-6-10-18/h3-4,7-8,14,18H,1-2,5-6,9-10H2,(H,17,19)
InChIKeyYRBFTOWPJMGQRV-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.57
Rot. Bonds9

About 2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide

2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide (PubChem CID 103918835) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
PubChem CID103918835
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
SMILESO=C(NCCCCCCO)c1ccccc1OC(F)F
InChIInChI=1S/C14H19F2NO3/c15-14(16)20-12-8-4-3-7-11(12)13(19)17-9-5-1-2-6-10-18/h3-4,7-8,14,18H,1-2,5-6,9-10H2,(H,17,19)
InChIKeyYRBFTOWPJMGQRV-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.57
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-(4-bromobutyl)-2-(difluoromethoxy)benzamide
CID 106845934
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-(4-bromopentyl)-2-(difluoromethoxy)benzamide
CID 106130417
2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide
CID 61131710
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide
CID 106307192
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
CID 18225114
2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 39709098
N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide
CID 67218627
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide (CID 103918835) is 2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide is O=C(NCCCCCCO)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide?
The InChIKey is YRBFTOWPJMGQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c15-14(16)20-12-8-4-3-7-11(12)13(19)17-9-5-1-2-6-10-18/h3-4,7-8,14,18H,1-2,5-6,9-10H2,(H,17,19).
What are the key properties of 2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide?
2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide has a molecular weight of 287.31 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide is sourced from PubChem (CID 103918835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).