N-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide

C18H16ClN3O2 — CID 6265225

IUPACN-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide
SMILESCC(/C=C/c1ccccc1)=N/NC(=O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O2/c1-13(10-11-14-6-3-2-4-7-14)21-22-18(24)17(23)20-16-9-5-8-15(19)12-16/h2-12H,1H3,(H,20,23)(H,22,24)/b11-10+,21-13-
InChIKeyXEKWKWVYXICMMA-SNTPLNSLSA-N
MW341.80 g/mol
LogP3.48
Rot. Bonds4

About N-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide

N-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide (PubChem CID 6265225) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide
PubChem CID6265225
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide
SMILESCC(/C=C/c1ccccc1)=N/NC(=O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O2/c1-13(10-11-14-6-3-2-4-7-14)21-22-18(24)17(23)20-16-9-5-8-15(19)12-16/h2-12H,1H3,(H,20,23)(H,22,24)/b11-10+,21-13-
InChIKeyXEKWKWVYXICMMA-SNTPLNSLSA-N
XLogP3.48
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide
CID 4249349
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
N-(3-chlorophenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide
CID 94848465
N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide
CID 135554206
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661
4-[(Z)-[[2-(3-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 6042050
2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 92913426
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide (CID 6265225) is N-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide is CC(/C=C/c1ccccc1)=N/NC(=O)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide?
The InChIKey is XEKWKWVYXICMMA-SNTPLNSLSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-13(10-11-14-6-3-2-4-7-14)21-22-18(24)17(23)20-16-9-5-8-15(19)12-16/h2-12H,1H3,(H,20,23)(H,22,24)/b11-10+,21-13-.
What are the key properties of N-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide?
N-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide has a molecular weight of 341.80 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide is sourced from PubChem (CID 6265225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).