4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide

C17H14N4O2 — CID 5417686

IUPAC4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H14N4O2/c1-12(22)20-16-8-6-15(7-9-16)17(23)21-19-11-14-4-2-13(10-18)3-5-14/h2-9,11H,1H3,(H,20,22)(H,21,23)/b19-11-
InChIKeyFVXIUFHNEFQTPB-ODLFYWEKSA-N
MW306.33 g/mol
LogP2.28
Rot. Bonds4

About 4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide

4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide (PubChem CID 5417686) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
PubChem CID5417686
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H14N4O2/c1-12(22)20-16-8-6-15(7-9-16)17(23)21-19-11-14-4-2-13(10-18)3-5-14/h2-9,11H,1H3,(H,20,22)(H,21,23)/b19-11-
InChIKeyFVXIUFHNEFQTPB-ODLFYWEKSA-N
XLogP2.28
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920978
N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376598
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide
CID 5373177
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide
CID 170647561
4-[(4-tert-butylphenoxy)methyl]-N-[(4-cyanophenyl)methylideneamino]benzamide
CID 2470036
N'-[(4-cyanophenyl)methylideneamino]-N-phenyloxamide
CID 3544444
methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide
CID 6895632

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide (CID 5417686) is 4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide?
The InChIKey is FVXIUFHNEFQTPB-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-12(22)20-16-8-6-15(7-9-16)17(23)21-19-11-14-4-2-13(10-18)3-5-14/h2-9,11H,1H3,(H,20,22)(H,21,23)/b19-11-.
What are the key properties of 4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide?
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide has a molecular weight of 306.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5417686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).