3-fluoro-N-hex-5-ynyl-4-methoxybenzamide

C14H16FNO2 — CID 113256108

IUPAC3-fluoro-N-hex-5-ynyl-4-methoxybenzamide
SMILESC#CCCCCNC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H16FNO2/c1-3-4-5-6-9-16-14(17)11-7-8-13(18-2)12(15)10-11/h1,7-8,10H,4-6,9H2,2H3,(H,16,17)
InChIKeyGGVYKYFSZADKCE-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.37
Rot. Bonds6

About 3-fluoro-N-hex-5-ynyl-4-methoxybenzamide

3-fluoro-N-hex-5-ynyl-4-methoxybenzamide (PubChem CID 113256108) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-fluoro-N-hex-5-ynyl-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-hex-5-ynyl-4-methoxybenzamide
PubChem CID113256108
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name3-fluoro-N-hex-5-ynyl-4-methoxybenzamide
SMILESC#CCCCCNC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H16FNO2/c1-3-4-5-6-9-16-14(17)11-7-8-13(18-2)12(15)10-11/h1,7-8,10H,4-6,9H2,2H3,(H,16,17)
InChIKeyGGVYKYFSZADKCE-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-5-ynyl-3,4-dimethoxybenzamide
CID 113256083
N-hex-5-ynyl-3-methoxy-4-methylbenzamide
CID 103757934
3-fluoro-N-hex-5-ynyl-4-methylbenzamide
CID 103757933
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
N-hex-5-ynyl-3-methoxy-4-nitrobenzamide
CID 103757993
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide
CID 86836580
3,4-dimethyl-N-pent-4-ynylbenzamide
CID 103708908
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
3,4,5-trifluoro-N-pent-4-ynylbenzamide
CID 103708893
3-fluoro-4-nitro-N-pent-4-ynylbenzamide
CID 103708940

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-hex-5-ynyl-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-hex-5-ynyl-4-methoxybenzamide (CID 113256108) is 3-fluoro-N-hex-5-ynyl-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-hex-5-ynyl-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-hex-5-ynyl-4-methoxybenzamide is C#CCCCCNC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 3-fluoro-N-hex-5-ynyl-4-methoxybenzamide?
The InChIKey is GGVYKYFSZADKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-3-4-5-6-9-16-14(17)11-7-8-13(18-2)12(15)10-11/h1,7-8,10H,4-6,9H2,2H3,(H,16,17).
What are the key properties of 3-fluoro-N-hex-5-ynyl-4-methoxybenzamide?
3-fluoro-N-hex-5-ynyl-4-methoxybenzamide has a molecular weight of 249.28 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-hex-5-ynyl-4-methoxybenzamide is sourced from PubChem (CID 113256108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).