4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide

C16H21F3N2O — CID 120563496

IUPAC4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide
SMILESCC(N)CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C16H21F3N2O/c1-11(20)6-7-14(22)21-15(8-3-9-15)12-4-2-5-13(10-12)16(17,18)19/h2,4-5,10-11H,3,6-9,20H2,1H3,(H,21,22)
InChIKeyLYDWPRWSMWPIIR-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.33
Rot. Bonds5

About 4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide

4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide (PubChem CID 120563496) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide
PubChem CID120563496
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide
SMILESCC(N)CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C16H21F3N2O/c1-11(20)6-7-14(22)21-15(8-3-9-15)12-4-2-5-13(10-12)16(17,18)19/h2,4-5,10-11H,3,6-9,20H2,1H3,(H,21,22)
InChIKeyLYDWPRWSMWPIIR-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride
CID 119806409
4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
CID 120561385
methyl N-[3-oxo-3-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]amino]propyl]carbamate
CID 71998913
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 120593516
2-(4-aminophenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide
CID 119806400
2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride
CID 119806417
3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 119806424
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]butanamide
CID 119772778
5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 120636519
N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide
CID 71997220
4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562077
4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562152

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide?
The IUPAC name of 4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide (CID 120563496) is 4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide.
What is the SMILES notation for 4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide?
The canonical SMILES for 4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide is CC(N)CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide?
The InChIKey is LYDWPRWSMWPIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-11(20)6-7-14(22)21-15(8-3-9-15)12-4-2-5-13(10-12)16(17,18)19/h2,4-5,10-11H,3,6-9,20H2,1H3,(H,21,22).
What are the key properties of 4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide?
4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide has a molecular weight of 314.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide is sourced from PubChem (CID 120563496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).