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

C17H23F3N2O — CID 119814967

IUPAC3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
SMILESCC(CCNC(=O)C1CCC(N)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O/c1-11(12-3-2-4-14(9-12)17(18,19)20)7-8-22-16(23)13-5-6-15(21)10-13/h2-4,9,11,13,15H,5-8,10,21H2,1H3,(H,22,23)
InChIKeyBVZPBWJRNVTZEN-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.44
Rot. Bonds5

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

3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide (PubChem CID 119814967) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
PubChem CID119814967
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
SMILESCC(CCNC(=O)C1CCC(N)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O/c1-11(12-3-2-4-14(9-12)17(18,19)20)7-8-22-16(23)13-5-6-15(21)10-13/h2-4,9,11,13,15H,5-8,10,21H2,1H3,(H,22,23)
InChIKeyBVZPBWJRNVTZEN-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide;hydrochloride
CID 119769323
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 66009151
(3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide
CID 96521769
3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
CID 119771346
cis-(1S,3R)-3-amino-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 56918619
3-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736703
1-[3-[3-(trifluoromethyl)phenyl]butylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004719
1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
CID 119341574
N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide
CID 119814995
1-(3-hydroxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]butyl]urea
CID 111542860
4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide
CID 79519273
N-cyclopropyl-4-[[N'-methyl-N-[3-[3-(trifluoromethyl)phenyl]butyl]carbamimidoyl]amino]butanamide
CID 111711609

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide (CID 119814967) is 3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide is CC(CCNC(=O)C1CCC(N)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide?
The InChIKey is BVZPBWJRNVTZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-11(12-3-2-4-14(9-12)17(18,19)20)7-8-22-16(23)13-5-6-15(21)10-13/h2-4,9,11,13,15H,5-8,10,21H2,1H3,(H,22,23).
What are the key properties of 3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide?
3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119814967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).