N-(1-ethynylcyclopropyl)-2-fluorobenzamide

C12H10FNO — CID 175973629

IUPACN-(1-ethynylcyclopropyl)-2-fluorobenzamide
SMILESC#CC1(NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C12H10FNO/c1-2-12(7-8-12)14-11(15)9-5-3-4-6-10(9)13/h1,3-6H,7-8H2,(H,14,15)
InChIKeyWWDQSEJPIQCMTB-UHFFFAOYSA-N
MW203.22 g/mol
LogP1.72
Rot. Bonds2

About N-(1-ethynylcyclopropyl)-2-fluorobenzamide

N-(1-ethynylcyclopropyl)-2-fluorobenzamide (PubChem CID 175973629) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is N-(1-ethynylcyclopropyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-ethynylcyclopropyl)-2-fluorobenzamide
PubChem CID175973629
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC NameN-(1-ethynylcyclopropyl)-2-fluorobenzamide
SMILESC#CC1(NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C12H10FNO/c1-2-12(7-8-12)14-11(15)9-5-3-4-6-10(9)13/h1,3-6H,7-8H2,(H,14,15)
InChIKeyWWDQSEJPIQCMTB-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 51.72
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

1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
2-fluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110444138
2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769256
ethane;2-fluoro-N-methylbenzamide
CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110116
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
N-(4-cyanocyclohexyl)-2-fluorobenzamide
CID 115270160
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide
CID 1494005
5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide
CID 169187126

Frequently Asked Questions

What is the IUPAC name of N-(1-ethynylcyclopropyl)-2-fluorobenzamide?
The IUPAC name of N-(1-ethynylcyclopropyl)-2-fluorobenzamide (CID 175973629) is N-(1-ethynylcyclopropyl)-2-fluorobenzamide.
What is the SMILES notation for N-(1-ethynylcyclopropyl)-2-fluorobenzamide?
The canonical SMILES for N-(1-ethynylcyclopropyl)-2-fluorobenzamide is C#CC1(NC(=O)c2ccccc2F)CC1.
What is the InChIKey of N-(1-ethynylcyclopropyl)-2-fluorobenzamide?
The InChIKey is WWDQSEJPIQCMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c1-2-12(7-8-12)14-11(15)9-5-3-4-6-10(9)13/h1,3-6H,7-8H2,(H,14,15).
What are the key properties of N-(1-ethynylcyclopropyl)-2-fluorobenzamide?
N-(1-ethynylcyclopropyl)-2-fluorobenzamide has a molecular weight of 203.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethynylcyclopropyl)-2-fluorobenzamide is sourced from PubChem (CID 175973629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).