(E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide

C19H14F6N2O3 — CID 26840117

IUPAC(E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)NNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F6N2O3/c20-18(21,22)13-4-1-3-12(9-13)7-8-16(28)26-27-17(29)11-30-15-6-2-5-14(10-15)19(23,24)25/h1-10H,11H2,(H,26,28)(H,27,29)/b8-7+
InChIKeyMNDRYRLPMVBLIV-BQYQJAHWSA-N
MW432.32 g/mol
LogP3.96
Rot. Bonds5

About (E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide

(E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide (PubChem CID 26840117) has the molecular formula C19H14F6N2O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is (E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide
PubChem CID26840117
Molecular FormulaC19H14F6N2O3
Molecular Weight432.32 g/mol
Exact Mass432.09
IUPAC Name(E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)NNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F6N2O3/c20-18(21,22)13-4-1-3-12(9-13)7-8-16(28)26-27-17(29)11-30-15-6-2-5-14(10-15)19(23,24)25/h1-10H,11H2,(H,26,28)(H,27,29)/b8-7+
InChIKeyMNDRYRLPMVBLIV-BQYQJAHWSA-N
XLogP3.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.96
H-Bond Donors ≤ 52
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

2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 4844211
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
(E)-3-(3-chlorophenyl)-N'-[2-(4-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 8880097
2-(3-methylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924430
(4-tert-butylphenyl)methyl N-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]carbamate
CID 45109075
2-(3-methylphenoxy)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6231780
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
CID 9220913
(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
CID 18230911
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5314584
N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119640750
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide (CID 26840117) is (E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide is O=C(/C=C/c1cccc(C(F)(F)F)c1)NNC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide?
The InChIKey is MNDRYRLPMVBLIV-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H14F6N2O3/c20-18(21,22)13-4-1-3-12(9-13)7-8-16(28)26-27-17(29)11-30-15-6-2-5-14(10-15)19(23,24)25/h1-10H,11H2,(H,26,28)(H,27,29)/b8-7+.
What are the key properties of (E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide?
(E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide has a molecular weight of 432.32 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide is sourced from PubChem (CID 26840117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).