4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide

C21H18N4O4 — CID 6014763

IUPAC4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc(N/N=C\c3cccc(O)c3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C21H18N4O4/c1-14-5-8-17(9-6-14)23-21(27)16-7-10-19(20(12-16)25(28)29)24-22-13-15-3-2-4-18(26)11-15/h2-13,24,26H,1H3,(H,23,27)/b22-13-
InChIKeyTZWNJNJPPPAUGQ-XKZIYDEJSA-N
MW390.40 g/mol
LogP4.31
Rot. Bonds6

About 4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide

4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide (PubChem CID 6014763) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide
PubChem CID6014763
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc(N/N=C\c3cccc(O)c3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C21H18N4O4/c1-14-5-8-17(9-6-14)23-21(27)16-7-10-19(20(12-16)25(28)29)24-22-13-15-3-2-4-18(26)11-15/h2-13,24,26H,1H3,(H,23,27)/b22-13-
InChIKeyTZWNJNJPPPAUGQ-XKZIYDEJSA-N
XLogP4.31
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.31
H-Bond Donors ≤ 53
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

4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 62241983
4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide
CID 84819036
3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
CID 17411476
4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
4-methyl-N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 19174835
[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 94844462
4-[2-[(2R)-2-methylcyclohexylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide
CID 7269941
4-(cyclopropylamino)-N-[4-(4-methylphenoxy)phenyl]-3-nitrobenzamide
CID 7923542
2-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid
CID 6140567
4-[(2-chlorophenyl)methylamino]-N-(4-methylphenyl)-3-nitrobenzamide
CID 4676214
N-[4-[(2,4-dinitrophenyl)carbamoyl]phenyl]-3-methylbenzamide
CID 5152612

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide (CID 6014763) is 4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide is Cc1ccc(NC(=O)c2ccc(N/N=C\c3cccc(O)c3)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide?
The InChIKey is TZWNJNJPPPAUGQ-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-14-5-8-17(9-6-14)23-21(27)16-7-10-19(20(12-16)25(28)29)24-22-13-15-3-2-4-18(26)11-15/h2-13,24,26H,1H3,(H,23,27)/b22-13-.
What are the key properties of 4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide?
4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide has a molecular weight of 390.40 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 6014763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).