(2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone

C22H16ClN3O3 — CID 18207176

IUPAC(2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESC/C(=N\N=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C22H16ClN3O3/c1-15(18-12-13-19(23)20(14-18)26(28)29)24-25-21(16-8-4-2-5-9-16)22(27)17-10-6-3-7-11-17/h2-14H,1H3/b24-15+,25-21+
InChIKeyUZFQSDSDLNDDQS-GFUUNDCYSA-N
MW405.84 g/mol
LogP5.34
Rot. Bonds6

About (2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone

(2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 18207176) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is (2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID18207176
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC Name(2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESC/C(=N\N=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C22H16ClN3O3/c1-15(18-12-13-19(23)20(14-18)26(28)29)24-25-21(16-8-4-2-5-9-16)22(27)17-10-6-3-7-11-17/h2-14H,1H3/b24-15+,25-21+
InChIKeyUZFQSDSDLNDDQS-GFUUNDCYSA-N
XLogP5.34
TPSA84.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.84
LogP ≤ 55.34
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

(2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 6906648
2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide
CID 7937156
2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 3524909
1-(4-chloro-3-nitrophenyl)-N-methyl-1-oxo-N-phenylmethanesulfonamide
CID 87183025
4-(4-chloro-3-nitrophenyl)-2-methyl-4-oxobut-2-enoic acid
CID 172714776
(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone
CID 6524389
4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide
CID 721213
4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3407766
4-chloro-3-nitrobenzamide;4-chloro-3-nitrobenzoic acid
CID 162263157
(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone
CID 838862
4-chloro-N-[1-(4-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 905379
N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide
CID 3409040

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone (CID 18207176) is (2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone is C/C(=N\N=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of (2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is UZFQSDSDLNDDQS-GFUUNDCYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c1-15(18-12-13-19(23)20(14-18)26(28)29)24-25-21(16-8-4-2-5-9-16)22(27)17-10-6-3-7-11-17/h2-14H,1H3/b24-15+,25-21+.
What are the key properties of (2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
(2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 405.84 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-1-(4-chloro-3-nitrophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 18207176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).