(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide

C23H18F4N2O4 — CID 41264142

IUPAC(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H18F4N2O4/c24-22(25)32-17-10-8-15(19(13-17)33-23(26)27)9-11-20(30)28-29-21(31)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,13,22-23H,12H2,(H,28,30)(H,29,31)/b11-9+
InChIKeyQSTLZZXTSFJYBU-PKNBQFBNSA-N
MW462.40 g/mol
LogP4.45
Rot. Bonds8

About (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide

(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide (PubChem CID 41264142) has the molecular formula C23H18F4N2O4 and a molecular weight of 462.40 g/mol. Its IUPAC name is (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide
PubChem CID41264142
Molecular FormulaC23H18F4N2O4
Molecular Weight462.40 g/mol
Exact Mass462.12
IUPAC Name(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H18F4N2O4/c24-22(25)32-17-10-8-15(19(13-17)33-23(26)27)9-11-20(30)28-29-21(31)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,13,22-23H,12H2,(H,28,30)(H,29,31)/b11-9+
InChIKeyQSTLZZXTSFJYBU-PKNBQFBNSA-N
XLogP4.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide (CID 41264142) is (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide is O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)NNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide?
The InChIKey is QSTLZZXTSFJYBU-PKNBQFBNSA-N. The full InChI is InChI=1S/C23H18F4N2O4/c24-22(25)32-17-10-8-15(19(13-17)33-23(26)27)9-11-20(30)28-29-21(31)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,13,22-23H,12H2,(H,28,30)(H,29,31)/b11-9+.
What are the key properties of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide?
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide has a molecular weight of 462.40 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide is sourced from PubChem (CID 41264142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).