N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide

C18H20N4O4 — CID 135400305

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1
InChIInChI=1S/C18H20N4O4/c1-3-21(4-2)16-10-7-14(17(23)11-16)12-19-20-18(24)13-5-8-15(9-6-13)22(25)26/h5-12,23H,3-4H2,1-2H3,(H,20,24)/b19-12+
InChIKeyXZLNLOGXVHIPRF-XDHOZWIPSA-N
MW356.38 g/mol
LogP2.91
Rot. Bonds7

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide (PubChem CID 135400305) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide
PubChem CID135400305
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1
InChIInChI=1S/C18H20N4O4/c1-3-21(4-2)16-10-7-14(17(23)11-16)12-19-20-18(24)13-5-8-15(9-6-13)22(25)26/h5-12,23H,3-4H2,1-2H3,(H,20,24)/b19-12+
InChIKeyXZLNLOGXVHIPRF-XDHOZWIPSA-N
XLogP2.91
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
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

Gsk-9089
CID 5497124
2-Hydroxy-4-diethylaminobenzaldehyde 4-tert-butyl-benzoyl hydrazone
CID 135470886
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-4-hydroxybenzohydrazide
CID 6864965
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
Benzylidenehydrazine derivative, 13
CID 135922678
N-(4-{N'-[(E)-(3-Hydroxyphenyl)methylidene]hydrazinecarbonyl}phenyl)-3-nitrobenzamide
CID 46496335
N''-[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzohydrazide
CID 135421588
4-[2-(2-hydroxybenzylidene)hydrazino]-3-nitro-N-(2-methylphenyl)benzamide
CID 135489027
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-sulfamoylbenzamide
CID 168295334
2-Hydroxy-N'-[(E)-(4-nitrophenyl)methylidene]benzohydrazide
CID 6870740
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
CID 135428733

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide (CID 135400305) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide?
The InChIKey is XZLNLOGXVHIPRF-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-3-21(4-2)16-10-7-14(17(23)11-16)12-19-20-18(24)13-5-8-15(9-6-13)22(25)26/h5-12,23H,3-4H2,1-2H3,(H,20,24)/b19-12+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide has a molecular weight of 356.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 135400305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).