4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate

C21H16N3O5- — CID 7032585

IUPAC4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate
SMILESO=C(N/N=C\c1ccc([O-])c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O5/c25-19-12-11-15(13-18(19)24(28)29)14-22-23-20(26)21(27,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,25,27H,(H,23,26)/p-1/b22-14-
InChIKeyFALGCSABVTVDDN-HMAPJEAMSA-M
MW390.38 g/mol
LogP2.05
Rot. Bonds6

About 4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate

4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate (PubChem CID 7032585) has the molecular formula C21H16N3O5- and a molecular weight of 390.38 g/mol. Its IUPAC name is 4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate.

Molecular Properties

Compound Name4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate
PubChem CID7032585
Molecular FormulaC21H16N3O5-
Molecular Weight390.38 g/mol
Exact Mass390.11
IUPAC Name4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate
SMILESO=C(N/N=C\c1ccc([O-])c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O5/c25-19-12-11-15(13-18(19)24(28)29)14-22-23-20(26)21(27,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,25,27H,(H,23,26)/p-1/b22-14-
InChIKeyFALGCSABVTVDDN-HMAPJEAMSA-M
XLogP2.05
TPSA127.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 6881941
2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 126027173
4-[[(4-tert-butylbenzoyl)hydrazinylidene]methyl]-2-nitrophenolate
CID 3383054
2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135642279
N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3381074
2-hydroxy-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135479551
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6882140
4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate
CID 8897399
2-hydroxy-N-[(E)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2,2-diphenylacetamide
CID 5338017
4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
CID 9316823
methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate
CID 3753828
2-hydroxy-N-[(E)-[(2E)-2-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]ethylidene]amino]-2,2-diphenylacetamide
CID 46495023

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate?
The IUPAC name of 4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate (CID 7032585) is 4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate.
What is the SMILES notation for 4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate?
The canonical SMILES for 4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate is O=C(N/N=C\c1ccc([O-])c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate?
The InChIKey is FALGCSABVTVDDN-HMAPJEAMSA-M. The full InChI is InChI=1S/C21H17N3O5/c25-19-12-11-15(13-18(19)24(28)29)14-22-23-20(26)21(27,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,25,27H,(H,23,26)/p-1/b22-14-.
What are the key properties of 4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate?
4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate has a molecular weight of 390.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate is sourced from PubChem (CID 7032585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).