3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide

C18H25F3N2O — CID 119771346

IUPAC3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CCC(N)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O/c1-17(2,3)15(23-16(24)12-7-8-14(22)10-12)11-5-4-6-13(9-11)18(19,20)21/h4-6,9,12,14-15H,7-8,10,22H2,1-3H3,(H,23,24)
InChIKeyHXWQEKKVLMMDQP-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.04
Rot. Bonds3

About 3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide

3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide (PubChem CID 119771346) has the molecular formula C18H25F3N2O and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
PubChem CID119771346
Molecular FormulaC18H25F3N2O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CCC(N)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O/c1-17(2,3)15(23-16(24)12-7-8-14(22)10-12)11-5-4-6-13(9-11)18(19,20)21/h4-6,9,12,14-15H,7-8,10,22H2,1-3H3,(H,23,24)
InChIKeyHXWQEKKVLMMDQP-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 66009151
3-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide;hydrochloride
CID 119769323
3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
CID 119814967
3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide
CID 63043944
(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide
CID 119316444
1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122000277
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
cis-(1S,3R)-3-amino-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 56918619
4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562152
3-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736703
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide (CID 119771346) is 3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide is CC(C)(C)C(NC(=O)C1CCC(N)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide?
The InChIKey is HXWQEKKVLMMDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-17(2,3)15(23-16(24)12-7-8-14(22)10-12)11-5-4-6-13(9-11)18(19,20)21/h4-6,9,12,14-15H,7-8,10,22H2,1-3H3,(H,23,24).
What are the key properties of 3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide?
3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119771346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).