N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide

C20H20F2N2O5 — CID 24609581

IUPACN'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(F)F)cc1OC
InChIInChI=1S/C20H20F2N2O5/c1-3-28-16-10-8-14(12-17(16)27-2)19(26)24-23-18(25)11-9-13-6-4-5-7-15(13)29-20(21)22/h4-12,20H,3H2,1-2H3,(H,23,25)(H,24,26)/b11-9+
InChIKeyHDNRITBUOZALAW-PKNBQFBNSA-N
MW406.39 g/mol
LogP3.17
Rot. Bonds8

About N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide

N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide (PubChem CID 24609581) has the molecular formula C20H20F2N2O5 and a molecular weight of 406.39 g/mol. Its IUPAC name is N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide
PubChem CID24609581
Molecular FormulaC20H20F2N2O5
Molecular Weight406.39 g/mol
Exact Mass406.13
IUPAC NameN'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(F)F)cc1OC
InChIInChI=1S/C20H20F2N2O5/c1-3-28-16-10-8-14(12-17(16)27-2)19(26)24-23-18(25)11-9-13-6-4-5-7-15(13)29-20(21)22/h4-12,20H,3H2,1-2H3,(H,23,25)(H,24,26)/b11-9+
InChIKeyHDNRITBUOZALAW-PKNBQFBNSA-N
XLogP3.17
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide
CID 26025403
4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9439958
N-[2-(difluoromethoxy)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 102603110
4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 51162629
(E)-3-[2-(difluoromethoxy)phenyl]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]prop-2-enamide
CID 55747210
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 108935148
2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 9340094
N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide
CID 5020772
4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402051
N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55347458
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 38573380

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide?
The IUPAC name of N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide (CID 24609581) is N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide?
The canonical SMILES for N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(F)F)cc1OC.
What is the InChIKey of N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide?
The InChIKey is HDNRITBUOZALAW-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H20F2N2O5/c1-3-28-16-10-8-14(12-17(16)27-2)19(26)24-23-18(25)11-9-13-6-4-5-7-15(13)29-20(21)22/h4-12,20H,3H2,1-2H3,(H,23,25)(H,24,26)/b11-9+.
What are the key properties of N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide?
N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide has a molecular weight of 406.39 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide is sourced from PubChem (CID 24609581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).