N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide

C23H20BrN3O2 — CID 88848944

IUPACN-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide
SMILESO=C(CC/C(=N/NC(=O)c1cccc(Br)c1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C23H20BrN3O2/c24-19-11-7-10-18(16-19)23(29)27-26-21(17-8-3-1-4-9-17)14-15-22(28)25-20-12-5-2-6-13-20/h1-13,16H,14-15H2,(H,25,28)(H,27,29)/b26-21-
InChIKeyHEJLGPANDJTYKY-QLYXXIJNSA-N
MW450.34 g/mol
LogP5.00
Rot. Bonds7

About N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide

N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide (PubChem CID 88848944) has the molecular formula C23H20BrN3O2 and a molecular weight of 450.34 g/mol. Its IUPAC name is N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide
PubChem CID88848944
Molecular FormulaC23H20BrN3O2
Molecular Weight450.34 g/mol
Exact Mass449.07
IUPAC NameN-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide
SMILESO=C(CC/C(=N/NC(=O)c1cccc(Br)c1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C23H20BrN3O2/c24-19-11-7-10-18(16-19)23(29)27-26-21(17-8-3-1-4-9-17)14-15-22(28)25-20-12-5-2-6-13-20/h1-13,16H,14-15H2,(H,25,28)(H,27,29)/b26-21-
InChIKeyHEJLGPANDJTYKY-QLYXXIJNSA-N
XLogP5.00
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.34
LogP ≤ 55.00
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'}

Analyze N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3266986
3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 54790995
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
(4E)-4-[(4-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6391991
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
N-benzoyl-3-bromobenzamide
CID 118577200
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
CID 7534633
4-[2-(3-bromobenzoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 54790886

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide?
The IUPAC name of N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide (CID 88848944) is N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide.
What is the SMILES notation for N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide?
The canonical SMILES for N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide is O=C(CC/C(=N/NC(=O)c1cccc(Br)c1)c1ccccc1)Nc1ccccc1.
What is the InChIKey of N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide?
The InChIKey is HEJLGPANDJTYKY-QLYXXIJNSA-N. The full InChI is InChI=1S/C23H20BrN3O2/c24-19-11-7-10-18(16-19)23(29)27-26-21(17-8-3-1-4-9-17)14-15-22(28)25-20-12-5-2-6-13-20/h1-13,16H,14-15H2,(H,25,28)(H,27,29)/b26-21-.
What are the key properties of N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide?
N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide has a molecular weight of 450.34 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide is sourced from PubChem (CID 88848944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).