(4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate

C17H15ClN3O3- — CID 7081380

IUPAC(4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate
SMILESO=C([O-])CC/C(=N/NC(=O)Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16ClN3O3/c18-13-7-4-8-14(11-13)19-17(24)21-20-15(9-10-16(22)23)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,22,23)(H2,19,21,24)/p-1/b20-15-
InChIKeyFEDTXGXAFMZPML-HKWRFOASSA-M
MW344.78 g/mol
LogP2.40
Rot. Bonds6

About (4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate

(4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate (PubChem CID 7081380) has the molecular formula C17H15ClN3O3- and a molecular weight of 344.78 g/mol. Its IUPAC name is (4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate.

Molecular Properties

Compound Name(4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate
PubChem CID7081380
Molecular FormulaC17H15ClN3O3-
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name(4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate
SMILESO=C([O-])CC/C(=N/NC(=O)Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16ClN3O3/c18-13-7-4-8-14(11-13)19-17(24)21-20-15(9-10-16(22)23)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,22,23)(H2,19,21,24)/p-1/b20-15-
InChIKeyFEDTXGXAFMZPML-HKWRFOASSA-M
XLogP2.40
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 52.40
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

2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid
CID 19168580
(4Z)-4-(4-bromophenyl)-4-(phenylcarbamoylhydrazinylidene)butanoic acid
CID 9241838
N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide
CID 4249349
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614
3-(3-chlorophenyl)propanoate
CID 6946708
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
1-phenyl-3-[(E)-[(3Z)-1-phenyl-3-(phenylcarbamoylhydrazinylidene)propylidene]amino]urea
CID 6371525
CID 73055968
CID 73055968
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
CID 4085959

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate?
The IUPAC name of (4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate (CID 7081380) is (4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate.
What is the SMILES notation for (4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate?
The canonical SMILES for (4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate is O=C([O-])CC/C(=N/NC(=O)Nc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of (4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate?
The InChIKey is FEDTXGXAFMZPML-HKWRFOASSA-M. The full InChI is InChI=1S/C17H16ClN3O3/c18-13-7-4-8-14(11-13)19-17(24)21-20-15(9-10-16(22)23)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,22,23)(H2,19,21,24)/p-1/b20-15-.
What are the key properties of (4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate?
(4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate has a molecular weight of 344.78 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoate is sourced from PubChem (CID 7081380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).