4-acetamido-N-[(Z)-benzylideneamino]benzamide

C16H15N3O2 — CID 5397950

IUPAC4-acetamido-N-[(Z)-benzylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2)cc1
InChIInChI=1S/C16H15N3O2/c1-12(20)18-15-9-7-14(8-10-15)16(21)19-17-11-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,20)(H,19,21)/b17-11-
InChIKeyGMKUGHZKJDHCCC-BOPFTXTBSA-N
MW281.32 g/mol
LogP2.41
Rot. Bonds4

About 4-acetamido-N-[(Z)-benzylideneamino]benzamide

4-acetamido-N-[(Z)-benzylideneamino]benzamide (PubChem CID 5397950) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-acetamido-N-[(Z)-benzylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(Z)-benzylideneamino]benzamide
PubChem CID5397950
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-acetamido-N-[(Z)-benzylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2)cc1
InChIInChI=1S/C16H15N3O2/c1-12(20)18-15-9-7-14(8-10-15)16(21)19-17-11-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,20)(H,19,21)/b17-11-
InChIKeyGMKUGHZKJDHCCC-BOPFTXTBSA-N
XLogP2.41
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide
CID 170647561
N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924958
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
CID 24789540
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
CID 5427466
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(Z)-benzylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(Z)-benzylideneamino]benzamide (CID 5397950) is 4-acetamido-N-[(Z)-benzylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(Z)-benzylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(Z)-benzylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2)cc1.
What is the InChIKey of 4-acetamido-N-[(Z)-benzylideneamino]benzamide?
The InChIKey is GMKUGHZKJDHCCC-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12(20)18-15-9-7-14(8-10-15)16(21)19-17-11-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,20)(H,19,21)/b17-11-.
What are the key properties of 4-acetamido-N-[(Z)-benzylideneamino]benzamide?
4-acetamido-N-[(Z)-benzylideneamino]benzamide has a molecular weight of 281.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(Z)-benzylideneamino]benzamide is sourced from PubChem (CID 5397950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).