2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide

C14H16FNO — CID 103528693

IUPAC2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide
SMILESC#CC(CCC)NC(=O)c1cccc(C)c1F
InChIInChI=1S/C14H16FNO/c1-4-7-11(5-2)16-14(17)12-9-6-8-10(3)13(12)15/h2,6,8-9,11H,4,7H2,1,3H3,(H,16,17)
InChIKeyYDISKMIPKLPNIX-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.67
Rot. Bonds4

About 2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide

2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide (PubChem CID 103528693) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide
PubChem CID103528693
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide
SMILESC#CC(CCC)NC(=O)c1cccc(C)c1F
InChIInChI=1S/C14H16FNO/c1-4-7-11(5-2)16-14(17)12-9-6-8-10(3)13(12)15/h2,6,8-9,11H,4,7H2,1,3H3,(H,16,17)
InChIKeyYDISKMIPKLPNIX-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-hex-1-yn-3-yl-6-methylbenzamide
CID 106223431
2,4-difluoro-N-hex-1-yn-3-ylbenzamide
CID 103528717
N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide
CID 103529071
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
4-amino-N-hex-1-yn-3-yl-2-methylbenzamide
CID 106223497
4-chloro-2-fluoro-N-hex-1-yn-3-ylbenzamide
CID 103528497
5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide
CID 103529109
2-amino-4,5-difluoro-N-hex-1-yn-3-ylbenzamide
CID 106223518
5-amino-2-fluoro-N-hex-1-yn-3-ylbenzamide
CID 106223460
ethyl 2-[(2-fluoro-3-methylbenzoyl)amino]propanoate
CID 80717900
N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide
CID 103528407
N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide
CID 103528937

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide?
The IUPAC name of 2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide (CID 103528693) is 2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide?
The canonical SMILES for 2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide is C#CC(CCC)NC(=O)c1cccc(C)c1F.
What is the InChIKey of 2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide?
The InChIKey is YDISKMIPKLPNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-4-7-11(5-2)16-14(17)12-9-6-8-10(3)13(12)15/h2,6,8-9,11H,4,7H2,1,3H3,(H,16,17).
What are the key properties of 2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide?
2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide has a molecular weight of 233.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide is sourced from PubChem (CID 103528693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).