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

C17H14F4N2O3 — CID 4276204

IUPAC3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
SMILESCOc1ccc(C=CC(=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)
InChIKeyPORJERZWFDVVRG-UHFFFAOYSA-N
MW370.30 g/mol
LogP3.42
Rot. Bonds6

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

3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide (PubChem CID 4276204) has the molecular formula C17H14F4N2O3 and a molecular weight of 370.30 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
PubChem CID4276204
Molecular FormulaC17H14F4N2O3
Molecular Weight370.30 g/mol
Exact Mass370.09
IUPAC Name3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
SMILESCOc1ccc(C=CC(=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)
InChIKeyPORJERZWFDVVRG-UHFFFAOYSA-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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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846
N-(4-methoxyphenyl)-4-[(E)-3-oxo-3-[2-(2,3,5,6-tetrafluorophenyl)hydrazinyl]prop-1-enyl]benzenesulfonamide
CID 2127250
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
3-(3,4-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 74852248
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(E)-1-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 8826833
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723472
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 898590

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide (CID 4276204) is 3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide is COc1ccc(C=CC(=O)NNc2c(F)c(F)cc(F)c2F)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
The InChIKey is PORJERZWFDVVRG-UHFFFAOYSA-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).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
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 3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 4276204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).