(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide

C17H12F6N2O3 — CID 2079878

IUPAC(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
SMILESCOc1cc(/C=C/C(=O)NNc2c(F)c(F)cc(F)c2F)ccc1OC(F)F
InChIInChI=1S/C17H12F6N2O3/c1-27-12-6-8(2-4-11(12)28-17(22)23)3-5-13(26)24-25-16-14(20)9(18)7-10(19)15(16)21/h2-7,17,25H,1H3,(H,24,26)/b5-3+
InChIKeyUBAULHZJQNUKSB-HWKANZROSA-N
MW406.28 g/mol
LogP4.01
Rot. Bonds7

About (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide (PubChem CID 2079878) has the molecular formula C17H12F6N2O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
PubChem CID2079878
Molecular FormulaC17H12F6N2O3
Molecular Weight406.28 g/mol
Exact Mass406.08
IUPAC Name(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
SMILESCOc1cc(/C=C/C(=O)NNc2c(F)c(F)cc(F)c2F)ccc1OC(F)F
InChIInChI=1S/C17H12F6N2O3/c1-27-12-6-8(2-4-11(12)28-17(22)23)3-5-13(26)24-25-16-14(20)9(18)7-10(19)15(16)21/h2-7,17,25H,1H3,(H,24,26)/b5-3+
InChIKeyUBAULHZJQNUKSB-HWKANZROSA-N
XLogP4.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.01
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

3,4-dimethoxy-N'-phenylbenzohydrazide
CID 795526
(E)-3-(3,4-dimethoxyphenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
CID 2122819
5-(3,4-Dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 135976629
5-(3,4-Dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one
CID 135976651
3-(3,4-dimethoxyphenyl)-2-phenyl-1H-pyrazol-5-one
CID 86068483
(2E)-N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 892740
4-(3,4-Dimethoxybenzylidene)-1-[3-(trifluoromethyl)phenyl]-3,5-pyrazolidinedione
CID 1205096
(E)-3-(1,3-benzodioxol-5-yl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
CID 2086528
N'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 2122369
3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
CID 4665140
N'-{3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl}acetohydrazide
CID 22142147
3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-methyl-N'-(2,3,4,5,6-pentafluorophenyl)prop-2-enehydrazide
CID 72759469

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide (CID 2079878) is (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide is COc1cc(/C=C/C(=O)NNc2c(F)c(F)cc(F)c2F)ccc1OC(F)F.
What is the InChIKey of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
The InChIKey is UBAULHZJQNUKSB-HWKANZROSA-N. The full InChI is InChI=1S/C17H12F6N2O3/c1-27-12-6-8(2-4-11(12)28-17(22)23)3-5-13(26)24-25-16-14(20)9(18)7-10(19)15(16)21/h2-7,17,25H,1H3,(H,24,26)/b5-3+.
What are the key properties of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide?
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide has a molecular weight of 406.28 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 2079878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).