(2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

C21H14ClN3O3 — CID 6906648

IUPAC(2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N\N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H14ClN3O3/c22-18-12-11-15(13-19(18)25(27)28)14-23-24-20(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-14H/b23-14-,24-20-
InChIKeyIZFVSONJDLDNKQ-RAIJVOLQSA-N
MW391.81 g/mol
LogP4.95
Rot. Bonds6

About (2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

(2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 6906648) has the molecular formula C21H14ClN3O3 and a molecular weight of 391.81 g/mol. Its IUPAC name is (2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID6906648
Molecular FormulaC21H14ClN3O3
Molecular Weight391.81 g/mol
Exact Mass391.07
IUPAC Name(2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N\N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H14ClN3O3/c22-18-12-11-15(13-19(18)25(27)28)14-23-24-20(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-14H/b23-14-,24-20-
InChIKeyIZFVSONJDLDNKQ-RAIJVOLQSA-N
XLogP4.95
TPSA84.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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

(2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 18207176
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
CID 693438
(2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 135775343
3-[2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596969
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
1-chloro-2-nitro-4-(2-nitro-2-phenylethenyl)benzene
CID 76948503
1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
CID 21240098
(E)-N-[(4-chloro-3-nitrophenyl)methylideneamino]-3-phenylprop-2-enamide
CID 19165148
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide
CID 1123704
2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide
CID 679045
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5431937
N-[(E)-3-[(2Z)-2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 92847413

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (CID 6906648) is (2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is O=C(/C(=N\N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is IZFVSONJDLDNKQ-RAIJVOLQSA-N. The full InChI is InChI=1S/C21H14ClN3O3/c22-18-12-11-15(13-19(18)25(27)28)14-23-24-20(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-14H/b23-14-,24-20-.
What are the key properties of (2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
(2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 391.81 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 6906648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).