N'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide

C21H16F4N2O4 — CID 2351099

IUPACN'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide
SMILESC=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C21H16F4N2O4/c1-11(15-7-6-14(30-20(22)23)10-18(15)31-21(24)25)26-27-19(29)16-8-12-4-2-3-5-13(12)9-17(16)28/h2-10,20-21,26,28H,1H2,(H,27,29)
InChIKeyYMGJLIMAWMRPAQ-UHFFFAOYSA-N
MW436.36 g/mol
LogP4.65
Rot. Bonds8

About N'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide

N'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide (PubChem CID 2351099) has the molecular formula C21H16F4N2O4 and a molecular weight of 436.36 g/mol. Its IUPAC name is N'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide
PubChem CID2351099
Molecular FormulaC21H16F4N2O4
Molecular Weight436.36 g/mol
Exact Mass436.10
IUPAC NameN'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide
SMILESC=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C21H16F4N2O4/c1-11(15-7-6-14(30-20(22)23)10-18(15)31-21(24)25)26-27-19(29)16-8-12-4-2-3-5-13(12)9-17(16)28/h2-10,20-21,26,28H,1H2,(H,27,29)
InChIKeyYMGJLIMAWMRPAQ-UHFFFAOYSA-N
XLogP4.65
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide?
The IUPAC name of N'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide (CID 2351099) is N'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide.
What is the SMILES notation for N'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide?
The canonical SMILES for N'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide is C=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc(OC(F)F)cc1OC(F)F.
What is the InChIKey of N'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide?
The InChIKey is YMGJLIMAWMRPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O4/c1-11(15-7-6-14(30-20(22)23)10-18(15)31-21(24)25)26-27-19(29)16-8-12-4-2-3-5-13(12)9-17(16)28/h2-10,20-21,26,28H,1H2,(H,27,29).
What are the key properties of N'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide?
N'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide has a molecular weight of 436.36 g/mol, XLogP of 4.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-3-hydroxynaphthalene-2-carbohydrazide is sourced from PubChem (CID 2351099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).