(Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide

C14H16Cl2N2O2 — CID 156785541

IUPAC(Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide
SMILESCCc1cccc(CC)c1NC(=O)/C(Cl)=C(/Cl)C(N)=O
InChIInChI=1S/C14H16Cl2N2O2/c1-3-8-6-5-7-9(4-2)12(8)18-14(20)11(16)10(15)13(17)19/h5-7H,3-4H2,1-2H3,(H2,17,19)(H,18,20)/b11-10-
InChIKeyZTCBYFPBOGUXDD-KHPPLWFESA-N
MW315.20 g/mol
LogP2.92
Rot. Bonds5

About (Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide

(Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide (PubChem CID 156785541) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is (Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide.

Molecular Properties

Compound Name(Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide
PubChem CID156785541
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name(Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide
SMILESCCc1cccc(CC)c1NC(=O)/C(Cl)=C(/Cl)C(N)=O
InChIInChI=1S/C14H16Cl2N2O2/c1-3-8-6-5-7-9(4-2)12(8)18-14(20)11(16)10(15)13(17)19/h5-7H,3-4H2,1-2H3,(H2,17,19)(H,18,20)/b11-10-
InChIKeyZTCBYFPBOGUXDD-KHPPLWFESA-N
XLogP2.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377
N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511372
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide
CID 43315674
N-(2,5-dichlorophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108500926
N-(2,6-diethylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 60516664
N-(2,6-diethylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108511574
N-(4-anilinophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511452
N'-(2,6-diethylphenyl)-N-(2,3-dimethylphenyl)oxamide
CID 108511380
N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511377
ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate
CID 108500021
N-(2-chloro-6-ethylphenyl)acetamide
CID 130011952

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide?
The IUPAC name of (Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide (CID 156785541) is (Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide.
What is the SMILES notation for (Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide?
The canonical SMILES for (Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide is CCc1cccc(CC)c1NC(=O)/C(Cl)=C(/Cl)C(N)=O.
What is the InChIKey of (Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide?
The InChIKey is ZTCBYFPBOGUXDD-KHPPLWFESA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-3-8-6-5-7-9(4-2)12(8)18-14(20)11(16)10(15)13(17)19/h5-7H,3-4H2,1-2H3,(H2,17,19)(H,18,20)/b11-10-.
What are the key properties of (Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide?
(Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide has a molecular weight of 315.20 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide is sourced from PubChem (CID 156785541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).