N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide

C12H11F2NO — CID 114390036

IUPACN-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide
SMILESC#CC(C)NC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C12H11F2NO/c1-3-8(2)15-12(16)7-9-10(13)5-4-6-11(9)14/h1,4-6,8H,7H2,2H3,(H,15,16)
InChIKeyQDPOTDKMERZKRI-UHFFFAOYSA-N
MW223.22 g/mol
LogP1.65
Rot. Bonds3

About N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide

N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide (PubChem CID 114390036) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide
PubChem CID114390036
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC NameN-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide
SMILESC#CC(C)NC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C12H11F2NO/c1-3-8(2)15-12(16)7-9-10(13)5-4-6-11(9)14/h1,4-6,8H,7H2,2H3,(H,15,16)
InChIKeyQDPOTDKMERZKRI-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 51.65
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-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
CID 107859944
N-[(2,6-difluorophenyl)methyl]but-3-yn-2-amine
CID 114415538
N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide
CID 114389774
N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide
CID 114307818
(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]pentanoic acid
CID 107562809
N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
CID 120505968
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
CID 114389821
2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide
CID 123493234
2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 3437888
N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
CID 114389675
2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide
CID 39951192

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide?
The IUPAC name of N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide (CID 114390036) is N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide?
The canonical SMILES for N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide is C#CC(C)NC(=O)Cc1c(F)cccc1F.
What is the InChIKey of N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide?
The InChIKey is QDPOTDKMERZKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c1-3-8(2)15-12(16)7-9-10(13)5-4-6-11(9)14/h1,4-6,8H,7H2,2H3,(H,15,16).
What are the key properties of N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide?
N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide has a molecular weight of 223.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 114390036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).