N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide

C13H15FN2O2 — CID 46429163

IUPACN-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C2CCC2)c1
InChIInChI=1S/C13H15FN2O2/c1-8(17)15-10-5-6-11(14)12(7-10)16-13(18)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,15,17)(H,16,18)
InChIKeyYYXPKILMMHVMMI-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.52
Rot. Bonds3

About N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide

N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide (PubChem CID 46429163) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
PubChem CID46429163
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C2CCC2)c1
InChIInChI=1S/C13H15FN2O2/c1-8(17)15-10-5-6-11(14)12(7-10)16-13(18)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,15,17)(H,16,18)
InChIKeyYYXPKILMMHVMMI-UHFFFAOYSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
CID 119705036
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 55776993
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78888966
cis-(1R,3S)-3-[[3-(cyclohexanecarbonylamino)-4-fluorophenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065318
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
CID 55722774
N-[4-fluoro-3-[(2-methylcyclopentyl)amino]phenyl]acetamide
CID 65044597

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide (CID 46429163) is N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide is CC(=O)Nc1ccc(F)c(NC(=O)C2CCC2)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide?
The InChIKey is YYXPKILMMHVMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8(17)15-10-5-6-11(14)12(7-10)16-13(18)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide?
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide has a molecular weight of 250.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide is sourced from PubChem (CID 46429163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).