3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide

C14H19FN2O — CID 115676927

IUPAC3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide
SMILESCC(CC(N)=O)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C14H19FN2O/c1-9(6-14(16)18)17-11-7-10(8-11)12-4-2-3-5-13(12)15/h2-5,9-11,17H,6-8H2,1H3,(H2,16,18)
InChIKeyFXJRMCMENBBBLR-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.93
Rot. Bonds5

About 3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide

3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide (PubChem CID 115676927) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide.

Molecular Properties

Compound Name3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide
PubChem CID115676927
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide
SMILESCC(CC(N)=O)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C14H19FN2O/c1-9(6-14(16)18)17-11-7-10(8-11)12-4-2-3-5-13(12)15/h2-5,9-11,17H,6-8H2,1H3,(H2,16,18)
InChIKeyFXJRMCMENBBBLR-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-phenylcyclobutyl)amino]butanamide
CID 115676859
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate
CID 61498275
tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate
CID 107248477
3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749170
(1R,3S)-3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-(furan-2-yl)butan-1-ol
CID 99621655
5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine
CID 81349466
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]acetate
CID 54921064
(3S)-3-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]butanamide
CID 40953266
N-(2-cyclopropylpropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 113384039
3-(2-fluorophenyl)-N-(2-phenylpropyl)cyclobutan-1-amine
CID 43634457
N-[3-(2-fluorophenyl)cyclobutyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 167782034

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide?
The IUPAC name of 3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide (CID 115676927) is 3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide.
What is the SMILES notation for 3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide?
The canonical SMILES for 3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide is CC(CC(N)=O)NC1CC(c2ccccc2F)C1.
What is the InChIKey of 3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide?
The InChIKey is FXJRMCMENBBBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(6-14(16)18)17-11-7-10(8-11)12-4-2-3-5-13(12)15/h2-5,9-11,17H,6-8H2,1H3,(H2,16,18).
What are the key properties of 3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide?
3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide has a molecular weight of 250.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide is sourced from PubChem (CID 115676927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).