N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide

C12H12FNO2 — CID 114389675

IUPACN-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
SMILESC#CC(C)NC(=O)c1c(F)cccc1OC
InChIInChI=1S/C12H12FNO2/c1-4-8(2)14-12(15)11-9(13)6-5-7-10(11)16-3/h1,5-8H,2-3H3,(H,14,15)
InChIKeyOOLBCFPIYPMOEE-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.59
Rot. Bonds3

About N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide

N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide (PubChem CID 114389675) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
PubChem CID114389675
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC NameN-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
SMILESC#CC(C)NC(=O)c1c(F)cccc1OC
InChIInChI=1S/C12H12FNO2/c1-4-8(2)14-12(15)11-9(13)6-5-7-10(11)16-3/h1,5-8H,2-3H3,(H,14,15)
InChIKeyOOLBCFPIYPMOEE-UHFFFAOYSA-N
XLogP1.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.59
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-but-3-yn-2-yl-2,6-dimethoxybenzamide
CID 114418997
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
(2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 79010897
2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 65432052
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
N-but-3-yn-2-yl-3-fluorobenzamide
CID 114389984
2-(2-fluoro-6-methoxybenzoyl)-3-methylbutanenitrile
CID 65434987
2,6-dimethoxy-N-pent-1-yn-3-ylbenzamide
CID 103579049
2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658
N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 65432150

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide (CID 114389675) is N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide is C#CC(C)NC(=O)c1c(F)cccc1OC.
What is the InChIKey of N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide?
The InChIKey is OOLBCFPIYPMOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-4-8(2)14-12(15)11-9(13)6-5-7-10(11)16-3/h1,5-8H,2-3H3,(H,14,15).
What are the key properties of N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide?
N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide has a molecular weight of 221.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 114389675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).