N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide

C15H10N4O3 — CID 5373177

IUPACN-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide
SMILESN#Cc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H10N4O3/c16-9-11-1-3-12(4-2-11)10-17-18-15(20)13-5-7-14(8-6-13)19(21)22/h1-8,10H,(H,18,20)/b17-10-
InChIKeyJYBRRHXSGUROBG-YVLHZVERSA-N
MW294.27 g/mol
LogP2.23
Rot. Bonds4

About N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide

N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 5373177) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide
PubChem CID5373177
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC NameN-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide
SMILESN#Cc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H10N4O3/c16-9-11-1-3-12(4-2-11)10-17-18-15(20)13-5-7-14(8-6-13)19(21)22/h1-8,10H,(H,18,20)/b17-10-
InChIKeyJYBRRHXSGUROBG-YVLHZVERSA-N
XLogP2.23
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
4-[(4-bromobenzoyl)amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5457889
N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920978
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135420166
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
CID 136832455
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 771719
N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 91933933
N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide
CID 6152139
N-[[4-(1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-nitrobenzamide
CID 5219958

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide (CID 5373177) is N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide is N#Cc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is JYBRRHXSGUROBG-YVLHZVERSA-N. The full InChI is InChI=1S/C15H10N4O3/c16-9-11-1-3-12(4-2-11)10-17-18-15(20)13-5-7-14(8-6-13)19(21)22/h1-8,10H,(H,18,20)/b17-10-.
What are the key properties of N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide?
N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide has a molecular weight of 294.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 5373177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).