(4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid

C17H16BrN3O3 — CID 9241838

IUPAC(4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid
SMILESO=C(O)CC/C(=N/NC(=O)Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrN3O3/c18-13-8-6-12(7-9-13)15(10-11-16(22)23)20-21-17(24)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,22,23)(H2,19,21,24)/b20-15-
InChIKeyHFGOHFXTEHPVGI-HKWRFOASSA-N
MW390.24 g/mol
LogP3.84
Rot. Bonds6

About (4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid

(4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid (PubChem CID 9241838) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is (4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid.

Molecular Properties

Compound Name(4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid
PubChem CID9241838
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC Name(4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid
SMILESO=C(O)CC/C(=N/NC(=O)Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrN3O3/c18-13-8-6-12(7-9-13)15(10-11-16(22)23)20-21-17(24)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,22,23)(H2,19,21,24)/b20-15-
InChIKeyHFGOHFXTEHPVGI-HKWRFOASSA-N
XLogP3.84
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.84
H-Bond Donors ≤ 53
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 (4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid 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

(4E)-4-[(4-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6391991
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
CID 131861254
1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea
CID 6371525
N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide
CID 88848944
(4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate
CID 7081380
N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3266986
4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid
CID 3038095
1-(4-bromobenzenecarbothioyl)-3-phenylurea
CID 5007969
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913
(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid
CID 10193227
1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid?
The IUPAC name of (4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid (CID 9241838) is (4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid.
What is the SMILES notation for (4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid?
The canonical SMILES for (4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid is O=C(O)CC/C(=N/NC(=O)Nc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid?
The InChIKey is HFGOHFXTEHPVGI-HKWRFOASSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c18-13-8-6-12(7-9-13)15(10-11-16(22)23)20-21-17(24)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,22,23)(H2,19,21,24)/b20-15-.
What are the key properties of (4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid?
(4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid has a molecular weight of 390.24 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid is sourced from PubChem (CID 9241838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).