1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide

C14H17F3N2O — CID 60867747

IUPAC1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCc2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-5-3-4-10(8-11)9-19-12(20)13(18)6-1-2-7-13/h3-5,8H,1-2,6-7,9,18H2,(H,19,20)
InChIKeyLRWMMUVAHLFBAE-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.59
Rot. Bonds3

About 1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide

1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 60867747) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID60867747
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCc2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-5-3-4-10(8-11)9-19-12(20)13(18)6-1-2-7-13/h3-5,8H,1-2,6-7,9,18H2,(H,19,20)
InChIKeyLRWMMUVAHLFBAE-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
4-(aminomethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120918176
1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 18449573
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 107218429
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 86993073
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
CID 119341574
4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120617133

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide (CID 60867747) is 1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide is NC1(C(=O)NCc2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of 1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is LRWMMUVAHLFBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)11-5-3-4-10(8-11)9-19-12(20)13(18)6-1-2-7-13/h3-5,8H,1-2,6-7,9,18H2,(H,19,20).
What are the key properties of 1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 60867747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).