N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide

C21H16N4O5 — CID 135568456

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H16N4O5/c26-19-4-2-1-3-16(19)13-22-24-21(28)15-5-9-17(10-6-15)23-20(27)14-7-11-18(12-8-14)25(29)30/h1-13,26H,(H,23,27)(H,24,28)/b22-13+
InChIKeyBFBCCLYKDHXMNO-LPYMAVHISA-N
MW404.38 g/mol
LogP3.32
Rot. Bonds6

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide (PubChem CID 135568456) has the molecular formula C21H16N4O5 and a molecular weight of 404.38 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide
PubChem CID135568456
Molecular FormulaC21H16N4O5
Molecular Weight404.38 g/mol
Exact Mass404.11
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H16N4O5/c26-19-4-2-1-3-16(19)13-22-24-21(28)15-5-9-17(10-6-15)23-20(27)14-7-11-18(12-8-14)25(29)30/h1-13,26H,(H,23,27)(H,24,28)/b22-13+
InChIKeyBFBCCLYKDHXMNO-LPYMAVHISA-N
XLogP3.32
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide
CID 3094002
4-Aminobenzoic (2-hydroxybenzylidene)hydrazide
CID 135408682
N-(4-{[2-(3-hydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875721
N-{4-[N-(2-hydroxybenzoyl)ethanehydrazonoyl]phenyl}benzamide
CID 9694778
N-(4-{[2-(2,4-dihydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 135418715
N-(2-{[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 135625843
Benzamide, 4-methyl-N-[3-(4-hydroxybenzylidenhydrazinocarbonyl)phenyl]-
CID 135419955
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
N'-(2,4-Dihydroxybenzylidene)-4-nitrobenzohydrazide
CID 135421778
4-[2-(3-hydroxybenzylidene)hydrazino]-3-nitro-N-(4-methylphenyl)benzamide
CID 9648076
2-oxidanyl-N-[(E)-1-[4-(2-phenylethanoylamino)phenyl]ethylideneamino]benzamide
CID 25237596
N-(4-{N'-[(E)-(3-Hydroxyphenyl)methylidene]hydrazinecarbonyl}phenyl)-3-nitrobenzamide
CID 46496335

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide (CID 135568456) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide is O=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide?
The InChIKey is BFBCCLYKDHXMNO-LPYMAVHISA-N. The full InChI is InChI=1S/C21H16N4O5/c26-19-4-2-1-3-16(19)13-22-24-21(28)15-5-9-17(10-6-15)23-20(27)14-7-11-18(12-8-14)25(29)30/h1-13,26H,(H,23,27)(H,24,28)/b22-13+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide has a molecular weight of 404.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 135568456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).