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

C13H17FN2O — CID 43635571

IUPAC2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide
SMILESCC(NC1CC(c2cccc(F)c2)C1)C(N)=O
InChIInChI=1S/C13H17FN2O/c1-8(13(15)17)16-12-6-10(7-12)9-3-2-4-11(14)5-9/h2-5,8,10,12,16H,6-7H2,1H3,(H2,15,17)
InChIKeyHALOTJCUPXFDON-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.54
Rot. Bonds4

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

2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide (PubChem CID 43635571) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide.

Molecular Properties

Compound Name2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide
PubChem CID43635571
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide
SMILESCC(NC1CC(c2cccc(F)c2)C1)C(N)=O
InChIInChI=1S/C13H17FN2O/c1-8(13(15)17)16-12-6-10(7-12)9-3-2-4-11(14)5-9/h2-5,8,10,12,16H,6-7H2,1H3,(H2,15,17)
InChIKeyHALOTJCUPXFDON-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 60780699
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954901
3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43634625
3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 60926948
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
2-[[3-(3-fluorophenyl)cyclobutyl]amino]hexanoic acid
CID 122039640
3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine
CID 43635526
3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81367093
3-(3-fluorophenyl)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 63010559
4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide
CID 43633216
(2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid
CID 122037914
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide
CID 106344516

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide?
The IUPAC name of 2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide (CID 43635571) is 2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide.
What is the SMILES notation for 2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide?
The canonical SMILES for 2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide is CC(NC1CC(c2cccc(F)c2)C1)C(N)=O.
What is the InChIKey of 2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide?
The InChIKey is HALOTJCUPXFDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8(13(15)17)16-12-6-10(7-12)9-3-2-4-11(14)5-9/h2-5,8,10,12,16H,6-7H2,1H3,(H2,15,17).
What are the key properties of 2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide?
2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide has a molecular weight of 236.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide is sourced from PubChem (CID 43635571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).