N-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide

C14H11Cl2N3O2S — CID 2009468

IUPACN-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide
SMILESC=C(NNC(=O)C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H11Cl2N3O2S/c1-8(11-6-7-12(16)22-11)18-19-14(21)13(20)17-10-4-2-9(15)3-5-10/h2-7,18H,1H2,(H,17,20)(H,19,21)
InChIKeyMVNLITXXFZAULI-UHFFFAOYSA-N
MW356.23 g/mol
LogP3.29
Rot. Bonds4

About N-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide

N-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide (PubChem CID 2009468) has the molecular formula C14H11Cl2N3O2S and a molecular weight of 356.23 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide
PubChem CID2009468
Molecular FormulaC14H11Cl2N3O2S
Molecular Weight356.23 g/mol
Exact Mass354.99
IUPAC NameN-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide
SMILESC=C(NNC(=O)C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H11Cl2N3O2S/c1-8(11-6-7-12(16)22-11)18-19-14(21)13(20)17-10-4-2-9(15)3-5-10/h2-7,18H,1H2,(H,17,20)(H,19,21)
InChIKeyMVNLITXXFZAULI-UHFFFAOYSA-N
XLogP3.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide
CID 2000300
3-[(4-chlorophenyl)carbamoyl]but-3-enoic acid
CID 71372890
N-(4-chlorophenyl)-2-methylidenebutanediamide
CID 139973194
4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739
N-(4-chlorophenyl)-2-oxopropanamide
CID 4252596
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 19658584
2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9239780
5-chloro-N-cyanothiophene-2-carboxamide
CID 79194794
(1Z)-2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 15626985
N'-(2-chlorobenzoyl)-N-(4-chlorophenyl)oxamide
CID 2726843
N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide
CID 139520073

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide (CID 2009468) is N-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide is C=C(NNC(=O)C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)s1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide?
The InChIKey is MVNLITXXFZAULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2S/c1-8(11-6-7-12(16)22-11)18-19-14(21)13(20)17-10-4-2-9(15)3-5-10/h2-7,18H,1H2,(H,17,20)(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide?
N-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide has a molecular weight of 356.23 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 2009468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).