4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide

C14H15F2NO2 — CID 113241242

IUPAC4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide
SMILESC#CCC(CC)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H15F2NO2/c1-3-5-11(4-2)17-13(18)10-6-8-12(9-7-10)19-14(15)16/h1,6-9,11,14H,4-5H2,2H3,(H,17,18)
InChIKeyXQDDKJQOXCKFAA-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.82
Rot. Bonds6

About 4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide

4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide (PubChem CID 113241242) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide
PubChem CID113241242
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide
SMILESC#CCC(CC)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H15F2NO2/c1-3-5-11(4-2)17-13(18)10-6-8-12(9-7-10)19-14(15)16/h1,6-9,11,14H,4-5H2,2H3,(H,17,18)
InChIKeyXQDDKJQOXCKFAA-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-5-yn-3-yl-4-propan-2-ylbenzamide
CID 115647299
N-[[4-(difluoromethoxy)phenyl]methyl]hex-5-yn-3-amine
CID 115654929
3-bromo-4-fluoro-N-hex-5-yn-3-ylbenzamide
CID 103707650
6-bromo-N-hex-5-yn-3-ylnaphthalene-2-carboxamide
CID 115749088
N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide
CID 106180246
N-hex-5-yn-3-yl-3,5-dimethylbenzamide
CID 115647283
3-chloro-N-hex-5-yn-3-yl-4-methylbenzamide
CID 115647116
(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173
3-fluoro-N-hex-5-yn-3-yl-5-methylbenzamide
CID 115660003
N-hex-5-yn-3-ylpyridazine-4-carboxamide
CID 115769387
3-fluoro-N-hex-5-yn-3-yl-4-nitrobenzamide
CID 113241245
N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide
CID 114305939

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide (CID 113241242) is 4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide is C#CCC(CC)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide?
The InChIKey is XQDDKJQOXCKFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-3-5-11(4-2)17-13(18)10-6-8-12(9-7-10)19-14(15)16/h1,6-9,11,14H,4-5H2,2H3,(H,17,18).
What are the key properties of 4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide?
4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide has a molecular weight of 267.27 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide is sourced from PubChem (CID 113241242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).