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

C18H25F3N2O — CID 120561385

IUPAC4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C18H25F3N2O/c1-13(22)7-8-16(24)23-12-17(9-2-3-10-17)14-5-4-6-15(11-14)18(19,20)21/h4-6,11,13H,2-3,7-10,12,22H2,1H3,(H,23,24)
InChIKeyWTTFGHHVKFSCSC-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.76
Rot. Bonds6

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

4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide (PubChem CID 120561385) has the molecular formula C18H25F3N2O and a molecular weight of 342.41 g/mol. Its IUPAC name is 4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
PubChem CID120561385
Molecular FormulaC18H25F3N2O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C18H25F3N2O/c1-13(22)7-8-16(24)23-12-17(9-2-3-10-17)14-5-4-6-15(11-14)18(19,20)21/h4-6,11,13H,2-3,7-10,12,22H2,1H3,(H,23,24)
InChIKeyWTTFGHHVKFSCSC-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]butanamide
CID 119772778
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120560680
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide
CID 120563496
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide
CID 119805139
N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide
CID 71998503
4-amino-3-methoxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]butanamide;hydrochloride
CID 120593447
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride
CID 119805138
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide?
The IUPAC name of 4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide (CID 120561385) is 4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide?
The canonical SMILES for 4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide is CC(N)CCC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of 4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide?
The InChIKey is WTTFGHHVKFSCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-13(22)7-8-16(24)23-12-17(9-2-3-10-17)14-5-4-6-15(11-14)18(19,20)21/h4-6,11,13H,2-3,7-10,12,22H2,1H3,(H,23,24).
What are the key properties of 4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide?
4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide has a molecular weight of 342.41 g/mol, XLogP of 3.76, 6 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]cyclopentyl]methyl]pentanamide is sourced from PubChem (CID 120561385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).