2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide

C16H23FN2O — CID 43684863

IUPAC2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O/c1-3-8-18-16(20)11(2)19-15-9-13(10-15)12-4-6-14(17)7-5-12/h4-7,11,13,15,19H,3,8-10H2,1-2H3,(H,18,20)
InChIKeyNVQCYQJSEIMLFS-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.58
Rot. Bonds6

About 2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide

2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide (PubChem CID 43684863) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide
PubChem CID43684863
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O/c1-3-8-18-16(20)11(2)19-15-9-13(10-15)12-4-6-14(17)7-5-12/h4-7,11,13,15,19H,3,8-10H2,1-2H3,(H,18,20)
InChIKeyNVQCYQJSEIMLFS-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid
CID 122039690
(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid
CID 122038955
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 115920232
2-(4-fluorophenyl)-3-methyl-N-propylbutanamide
CID 110316805
2-[[3-(4-methylphenyl)cyclobutyl]amino]propanoic acid
CID 54959235
3-(4-fluorophenyl)-N-pent-1-yn-3-ylcyclobutan-1-amine
CID 106224546
2-(2-adamantylamino)-N-propylpropanamide
CID 43224055
2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide
CID 106658282
3-(4-fluorophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine
CID 64604417
N-ethyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanamide
CID 43635745

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide (CID 43684863) is 2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide?
The InChIKey is NVQCYQJSEIMLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-8-18-16(20)11(2)19-15-9-13(10-15)12-4-6-14(17)7-5-12/h4-7,11,13,15,19H,3,8-10H2,1-2H3,(H,18,20).
What are the key properties of 2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide?
2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide has a molecular weight of 278.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide is sourced from PubChem (CID 43684863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).