N'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide

C25H13Cl3F7N3O — CID 135341496

IUPACN'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
SMILESN#Cc1ccc(NNC(=O)c2ccc(/C(F)=C/C(c3cc(Cl)c(Cl)c(Cl)c3)C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C25H13Cl3F7N3O/c26-19-8-14(9-20(27)22(19)28)17(24(30,31)32)10-21(29)13-3-6-16(18(7-13)25(33,34)35)23(39)38-37-15-4-1-12(11-36)2-5-15/h1-10,17,37H,(H,38,39)/b21-10-
InChIKeySLZVRPMTHKLPDP-FBHDLOMBSA-N
MW610.74 g/mol
LogP8.95
Rot. Bonds6

About N'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide

N'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide (PubChem CID 135341496) has the molecular formula C25H13Cl3F7N3O and a molecular weight of 610.74 g/mol. Its IUPAC name is N'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
PubChem CID135341496
Molecular FormulaC25H13Cl3F7N3O
Molecular Weight610.74 g/mol
Exact Mass609.00
IUPAC NameN'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
SMILESN#Cc1ccc(NNC(=O)c2ccc(/C(F)=C/C(c3cc(Cl)c(Cl)c(Cl)c3)C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C25H13Cl3F7N3O/c26-19-8-14(9-20(27)22(19)28)17(24(30,31)32)10-21(29)13-3-6-16(18(7-13)25(33,34)35)23(39)38-37-15-4-1-12(11-36)2-5-15/h1-10,17,37H,(H,38,39)/b21-10-
InChIKeySLZVRPMTHKLPDP-FBHDLOMBSA-N
XLogP8.95
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.74
LogP ≤ 58.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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 N'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide (CID 135341496) is N'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide is N#Cc1ccc(NNC(=O)c2ccc(/C(F)=C/C(c3cc(Cl)c(Cl)c(Cl)c3)C(F)(F)F)cc2C(F)(F)F)cc1.
What is the InChIKey of N'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide?
The InChIKey is SLZVRPMTHKLPDP-FBHDLOMBSA-N. The full InChI is InChI=1S/C25H13Cl3F7N3O/c26-19-8-14(9-20(27)22(19)28)17(24(30,31)32)10-21(29)13-3-6-16(18(7-13)25(33,34)35)23(39)38-37-15-4-1-12(11-36)2-5-15/h1-10,17,37H,(H,38,39)/b21-10-.
What are the key properties of N'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide?
N'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide has a molecular weight of 610.74 g/mol, XLogP of 8.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)-4-[(Z)-1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 135341496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).