4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide

C16H13ClF2N2O2 — CID 2340459

IUPAC4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide
SMILESC=C(NNC(=O)c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H13ClF2N2O2/c1-10(11-4-8-14(9-5-11)23-16(18)19)20-21-15(22)12-2-6-13(17)7-3-12/h2-9,16,20H,1H2,(H,21,22)
InChIKeyJIGFFTDDTGAGSN-UHFFFAOYSA-N
MW338.74 g/mol
LogP3.85
Rot. Bonds6

About 4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide

4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide (PubChem CID 2340459) has the molecular formula C16H13ClF2N2O2 and a molecular weight of 338.74 g/mol. Its IUPAC name is 4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide
PubChem CID2340459
Molecular FormulaC16H13ClF2N2O2
Molecular Weight338.74 g/mol
Exact Mass338.06
IUPAC Name4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide
SMILESC=C(NNC(=O)c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H13ClF2N2O2/c1-10(11-4-8-14(9-5-11)23-16(18)19)20-21-15(22)12-2-6-13(17)7-3-12/h2-9,16,20H,1H2,(H,21,22)
InChIKeyJIGFFTDDTGAGSN-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(4-chlorophenyl)ethenyl]-4-hydroxybenzohydrazide
CID 2456682
N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]-3,4-dimethoxybenzohydrazide
CID 2435971
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
N-(2,5-dichlorophenyl)-4-(difluoromethoxy)benzamide
CID 4846901
4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405088
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
CID 115627281
N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide
CID 2366971
N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 43002109
N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
CID 17046478
N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide
CID 27605742

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide (CID 2340459) is 4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide is C=C(NNC(=O)c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide?
The InChIKey is JIGFFTDDTGAGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O2/c1-10(11-4-8-14(9-5-11)23-16(18)19)20-21-15(22)12-2-6-13(17)7-3-12/h2-9,16,20H,1H2,(H,21,22).
What are the key properties of 4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide?
4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide has a molecular weight of 338.74 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide is sourced from PubChem (CID 2340459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).