(E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide

C18H16F3N3O2 — CID 56519511

IUPAC(E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC(=O)NNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)14-7-4-8-15(11-14)23-24-17(26)12-22-16(25)10-9-13-5-2-1-3-6-13/h1-11,23H,12H2,(H,22,25)(H,24,26)/b10-9+
InChIKeyOVOWXXDLSGQBSH-MDZDMXLPSA-N
MW363.34 g/mol
LogP2.98
Rot. Bonds6

About (E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide

(E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide (PubChem CID 56519511) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is (E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide
PubChem CID56519511
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name(E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC(=O)NNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)14-7-4-8-15(11-14)23-24-17(26)12-22-16(25)10-9-13-5-2-1-3-6-13/h1-11,23H,12H2,(H,22,25)(H,24,26)/b10-9+
InChIKeyOVOWXXDLSGQBSH-MDZDMXLPSA-N
XLogP2.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9341605
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 9480508
2,2-dimethyl-N-[3-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]amino]phenyl]propanamide
CID 55536081
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
2-(1-adamantyl)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]acetamide
CID 55560590
(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
(E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide
CID 55560499
(E)-N-[2-(benzylamino)-2-oxoethyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 55676176
(E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide
CID 6445083
(E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide
CID 9413066
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide (CID 56519511) is (E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCC(=O)NNc1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide?
The InChIKey is OVOWXXDLSGQBSH-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)14-7-4-8-15(11-14)23-24-17(26)12-22-16(25)10-9-13-5-2-1-3-6-13/h1-11,23H,12H2,(H,22,25)(H,24,26)/b10-9+.
What are the key properties of (E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide has a molecular weight of 363.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 56519511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).