N-but-3-yn-2-yl-3-fluorobenzamide

C11H10FNO — CID 114389984

IUPACN-but-3-yn-2-yl-3-fluorobenzamide
SMILESC#CC(C)NC(=O)c1cccc(F)c1
InChIInChI=1S/C11H10FNO/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h1,4-8H,2H3,(H,13,14)
InChIKeyZABKRDWTIHPAGB-UHFFFAOYSA-N
MW191.20 g/mol
LogP1.58
Rot. Bonds2

About N-but-3-yn-2-yl-3-fluorobenzamide

N-but-3-yn-2-yl-3-fluorobenzamide (PubChem CID 114389984) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is N-but-3-yn-2-yl-3-fluorobenzamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-3-fluorobenzamide
PubChem CID114389984
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC NameN-but-3-yn-2-yl-3-fluorobenzamide
SMILESC#CC(C)NC(=O)c1cccc(F)c1
InChIInChI=1S/C11H10FNO/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h1,4-8H,2H3,(H,13,14)
InChIKeyZABKRDWTIHPAGB-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 51.58
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

N-but-3-yn-2-yl-3-iodobenzamide
CID 114389760
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842
N-but-3-yn-2-yl-3-sulfamoylbenzamide
CID 114390083
N-but-3-yn-2-yl-4-fluoro-3-sulfanylbenzamide
CID 107036265
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622
N-(1-bromo-3-methylbutan-2-yl)-3-fluorobenzamide
CID 114315995
N-but-3-yn-2-yl-1-methyl-2-oxopyridine-4-carboxamide
CID 104919690
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
CID 114389675
N-[cyano-(4-methylphenyl)methyl]-3-fluorobenzamide
CID 82123290
N-but-3-yn-2-yl-4-(trifluoromethyl)benzamide
CID 114390042
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-3-fluorobenzamide?
The IUPAC name of N-but-3-yn-2-yl-3-fluorobenzamide (CID 114389984) is N-but-3-yn-2-yl-3-fluorobenzamide.
What is the SMILES notation for N-but-3-yn-2-yl-3-fluorobenzamide?
The canonical SMILES for N-but-3-yn-2-yl-3-fluorobenzamide is C#CC(C)NC(=O)c1cccc(F)c1.
What is the InChIKey of N-but-3-yn-2-yl-3-fluorobenzamide?
The InChIKey is ZABKRDWTIHPAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h1,4-8H,2H3,(H,13,14).
What are the key properties of N-but-3-yn-2-yl-3-fluorobenzamide?
N-but-3-yn-2-yl-3-fluorobenzamide has a molecular weight of 191.20 g/mol, XLogP of 1.58, 2 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-3-fluorobenzamide is sourced from PubChem (CID 114389984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).