N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide

C13H15FN2O2 — CID 772134

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
SMILESO=C(CNC(=O)C1CCC1)Nc1cccc(F)c1
InChIInChI=1S/C13H15FN2O2/c14-10-5-2-6-11(7-10)16-12(17)8-15-13(18)9-3-1-4-9/h2,5-7,9H,1,3-4,8H2,(H,15,18)(H,16,17)
InChIKeyGODVBAFQSONJHS-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.68
Rot. Bonds4

About N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide

N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide (PubChem CID 772134) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
PubChem CID772134
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
SMILESO=C(CNC(=O)C1CCC1)Nc1cccc(F)c1
InChIInChI=1S/C13H15FN2O2/c14-10-5-2-6-11(7-10)16-12(17)8-15-13(18)9-3-1-4-9/h2,5-7,9H,1,3-4,8H2,(H,15,18)(H,16,17)
InChIKeyGODVBAFQSONJHS-UHFFFAOYSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119308754
N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859
N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 115571346
N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 49336024
N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119308747
(2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120627706
methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate
CID 112999895
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
N-[2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 9020209
N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 55828959

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide (CID 772134) is N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide is O=C(CNC(=O)C1CCC1)Nc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide?
The InChIKey is GODVBAFQSONJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-10-5-2-6-11(7-10)16-12(17)8-15-13(18)9-3-1-4-9/h2,5-7,9H,1,3-4,8H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide has a molecular weight of 250.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide is sourced from PubChem (CID 772134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).