N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride

C15H9ClF3N3O2 — CID 173008077

IUPACN-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
SMILESO=[N+]([O-])c1cccc(C=NN=C(Cl)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H9ClF3N3O2/c16-14(11-4-6-12(7-5-11)15(17,18)19)21-20-9-10-2-1-3-13(8-10)22(23)24/h1-9H
InChIKeyXDSIFRSTXNNLIN-UHFFFAOYSA-N
MW355.70 g/mol
LogP4.63
Rot. Bonds4

About N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride

N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride (PubChem CID 173008077) has the molecular formula C15H9ClF3N3O2 and a molecular weight of 355.70 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
PubChem CID173008077
Molecular FormulaC15H9ClF3N3O2
Molecular Weight355.70 g/mol
Exact Mass355.03
IUPAC NameN-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
SMILESO=[N+]([O-])c1cccc(C=NN=C(Cl)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H9ClF3N3O2/c16-14(11-4-6-12(7-5-11)15(17,18)19)21-20-9-10-2-1-3-13(8-10)22(23)24/h1-9H
InChIKeyXDSIFRSTXNNLIN-UHFFFAOYSA-N
XLogP4.63
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.70
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-nitrophenyl)methylideneamino]propan-2-imine
CID 778583
N-[2-[(3-nitrophenyl)methylideneamino]phenyl]-4-(trifluoromethyl)benzamide
CID 1258855
(NZ,1Z)-N-[chloro-[4-(trifluoromethyl)phenyl]methylidene]-3-nitrobenzenecarbohydrazonoyl chloride;methane;3-nitro-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;pentachloro-λ5-phosphane
CID 172918738
[(3-nitrophenyl)methylideneamino] N-[4-(trifluoromethyl)phenyl]carbamate
CID 2726408
[(Z)-(3-nitrophenyl)methylideneamino] N-[4-(trifluoromethyl)phenyl]carbamate
CID 6054760
1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine
CID 3664768
2-nitro-N-[(3-nitrophenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 3610108
1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 54368698
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 6435601
2,6-difluorobenzoyl chloride;3-nitrobenzoyl chloride;4-(trifluoromethyl)benzoyl chloride;hydrochloride
CID 162542415
3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 709324

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride?
The IUPAC name of N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride (CID 173008077) is N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride.
What is the SMILES notation for N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride?
The canonical SMILES for N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride is O=[N+]([O-])c1cccc(C=NN=C(Cl)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride?
The InChIKey is XDSIFRSTXNNLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O2/c16-14(11-4-6-12(7-5-11)15(17,18)19)21-20-9-10-2-1-3-13(8-10)22(23)24/h1-9H.
What are the key properties of N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride?
N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride has a molecular weight of 355.70 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methylidene]-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 173008077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).