N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide

C16H15N3O4 — CID 135899627

IUPACN-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide
SMILESCC/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C16H15N3O4/c1-2-14(11-7-9-12(20)10-8-11)17-18-16(21)13-5-3-4-6-15(13)19(22)23/h3-10,20H,2H2,1H3,(H,18,21)/b17-14-
InChIKeyZAEQEBUQFHJOIG-VKAVYKQESA-N
MW313.31 g/mol
LogP2.84
Rot. Bonds5

About N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide

N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide (PubChem CID 135899627) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide
PubChem CID135899627
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide
SMILESCC/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C16H15N3O4/c1-2-14(11-7-9-12(20)10-8-11)17-18-16(21)13-5-3-4-6-15(13)19(22)23/h3-10,20H,2H2,1H3,(H,18,21)/b17-14-
InChIKeyZAEQEBUQFHJOIG-VKAVYKQESA-N
XLogP2.84
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
CID 135643099
N-[1-(4-ethoxyphenyl)ethylideneamino]-2-nitrobenzamide
CID 840527
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
CID 5396796
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 135736270
N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide
CID 4928957
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772
N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135625816

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide?
The IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide (CID 135899627) is N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide.
What is the SMILES notation for N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide?
The canonical SMILES for N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide is CC/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide?
The InChIKey is ZAEQEBUQFHJOIG-VKAVYKQESA-N. The full InChI is InChI=1S/C16H15N3O4/c1-2-14(11-7-9-12(20)10-8-11)17-18-16(21)13-5-3-4-6-15(13)19(22)23/h3-10,20H,2H2,1H3,(H,18,21)/b17-14-.
What are the key properties of N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide?
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide has a molecular weight of 313.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide is sourced from PubChem (CID 135899627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).