(E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide

C17H14F4N2O3 — CID 2122819

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
SMILESCOc1ccc(/C=C/C(=O)NNc2c(F)c(F)cc(F)c2F)cc1OC
InChIInChI=1S/C17H14F4N2O3/c1-25-12-5-3-9(7-13(12)26-2)4-6-14(24)22-23-17-15(20)10(18)8-11(19)16(17)21/h3-8,23H,1-2H3,(H,22,24)/b6-4+
InChIKeyPORJERZWFDVVRG-GQCTYLIASA-N
MW370.30 g/mol
LogP3.42
Rot. Bonds6

About (E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide

(E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide (PubChem CID 2122819) has the molecular formula C17H14F4N2O3 and a molecular weight of 370.30 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
PubChem CID2122819
Molecular FormulaC17H14F4N2O3
Molecular Weight370.30 g/mol
Exact Mass370.09
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
SMILESCOc1ccc(/C=C/C(=O)NNc2c(F)c(F)cc(F)c2F)cc1OC
InChIInChI=1S/C17H14F4N2O3/c1-25-12-5-3-9(7-13(12)26-2)4-6-14(24)22-23-17-15(20)10(18)8-11(19)16(17)21/h3-8,23H,1-2H3,(H,22,24)/b6-4+
InChIKeyPORJERZWFDVVRG-GQCTYLIASA-N
XLogP3.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide (CID 2122819) is (E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide is COc1ccc(/C=C/C(=O)NNc2c(F)c(F)cc(F)c2F)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
The InChIKey is PORJERZWFDVVRG-GQCTYLIASA-N. The full InChI is InChI=1S/C17H14F4N2O3/c1-25-12-5-3-9(7-13(12)26-2)4-6-14(24)22-23-17-15(20)10(18)8-11(19)16(17)21/h3-8,23H,1-2H3,(H,22,24)/b6-4+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
(E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide has a molecular weight of 370.30 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 2122819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).