N-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide

C15H16F3NO2 — CID 166925172

IUPACN-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CC[C@H](Oc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H16F3NO2/c1-2-14(20)19-11-6-7-13(9-11)21-12-5-3-4-10(8-12)15(16,17)18/h2-5,8,11,13H,1,6-7,9H2,(H,19,20)/t11?,13-/m0/s1
InChIKeyOODPUINHZWPHGA-YUZLPWPTSA-N
MW299.29 g/mol
LogP3.31
Rot. Bonds4

About N-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide

N-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide (PubChem CID 166925172) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide
PubChem CID166925172
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC NameN-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CC[C@H](Oc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H16F3NO2/c1-2-14(20)19-11-6-7-13(9-11)21-12-5-3-4-10(8-12)15(16,17)18/h2-5,8,11,13H,1,6-7,9H2,(H,19,20)/t11?,13-/m0/s1
InChIKeyOODPUINHZWPHGA-YUZLPWPTSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(1S,3S)-3-[4-(1,1-difluoroethyl)phenoxy]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 156724550
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine
CID 130472690
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941
4-[3-(trifluoromethyl)phenoxy]oxane
CID 53217062
2-amino-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]acetaldehyde;hydrochloride
CID 87187234
N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119475585
2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone
CID 67479763
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70736464
(2R,3R)-2-methyl-N-prop-2-enyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
CID 15053358

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide?
The IUPAC name of N-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide (CID 166925172) is N-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide.
What is the SMILES notation for N-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide?
The canonical SMILES for N-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide is C=CC(=O)NC1CC[C@H](Oc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide?
The InChIKey is OODPUINHZWPHGA-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-2-14(20)19-11-6-7-13(9-11)21-12-5-3-4-10(8-12)15(16,17)18/h2-5,8,11,13H,1,6-7,9H2,(H,19,20)/t11?,13-/m0/s1.
What are the key properties of N-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide?
N-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide has a molecular weight of 299.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-[3-(trifluoromethyl)phenoxy]cyclopentyl]prop-2-enamide is sourced from PubChem (CID 166925172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).