(E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide

C17H19F3N2O2 — CID 108933957

IUPAC(E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/C1CCCC1)Nc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)16(24)21-11-13-5-8-14(9-6-13)22-15(23)10-7-12-3-1-2-4-12/h5-10,12H,1-4,11H2,(H,21,24)(H,22,23)/b10-7+
InChIKeyKWYXZWGJHFBCDH-JXMROGBWSA-N
MW340.35 g/mol
LogP3.55
Rot. Bonds5

About (E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide

(E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide (PubChem CID 108933957) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is (E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
PubChem CID108933957
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name(E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/C1CCCC1)Nc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)16(24)21-11-13-5-8-14(9-6-13)22-15(23)10-7-12-3-1-2-4-12/h5-10,12H,1-4,11H2,(H,21,24)(H,22,23)/b10-7+
InChIKeyKWYXZWGJHFBCDH-JXMROGBWSA-N
XLogP3.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[[4-[[(E)-3-cyclopentylprop-2-enoyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920736
2-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933949
(E)-3-cyclohexyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108934348
(E)-3-(3-fluorophenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933927
N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108933910
(E)-3-(2-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933915
N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 108933649
3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108933613
3-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]but-2-enamide
CID 108933948
N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 108934742
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933950
[[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]methylamino] formate
CID 118941389

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide (CID 108933957) is (E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide is O=C(/C=C/C1CCCC1)Nc1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of (E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide?
The InChIKey is KWYXZWGJHFBCDH-JXMROGBWSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c18-17(19,20)16(24)21-11-13-5-8-14(9-6-13)22-15(23)10-7-12-3-1-2-4-12/h5-10,12H,1-4,11H2,(H,21,24)(H,22,23)/b10-7+.
What are the key properties of (E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide?
(E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide has a molecular weight of 340.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopentyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 108933957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).