N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide

C19H19Cl2N3O2 — CID 6877586

IUPACN'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3O2/c1-3-13-6-5-7-14(4-2)17(13)23-18(25)19(26)24-22-11-12-8-9-15(20)16(21)10-12/h5-11H,3-4H2,1-2H3,(H,23,25)(H,24,26)/b22-11+
InChIKeyNURBPWKVHOWODY-SSDVNMTOSA-N
MW392.29 g/mol
LogP4.21
Rot. Bonds5

About N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide

N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide (PubChem CID 6877586) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide
PubChem CID6877586
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC NameN'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3O2/c1-3-13-6-5-7-14(4-2)17(13)23-18(25)19(26)24-22-11-12-8-9-15(20)16(21)10-12/h5-11H,3-4H2,1-2H3,(H,23,25)(H,24,26)/b22-11+
InChIKeyNURBPWKVHOWODY-SSDVNMTOSA-N
XLogP4.21
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.21
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-(2,6-diethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989212
N'-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8900433
N-(3-chloro-4-fluorophenyl)-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 19658573
N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 19658700
ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 6861622
ethyl N-[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 5399198
N,N'-bis[(3,4-dichlorophenyl)methylideneamino]hexanediamide
CID 4104627
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926819
[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474227
N-(3,4-dichlorophenyl)-N'-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5221192
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 2063705
N-(2,6-diethylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]oxamide
CID 135813860

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide?
The IUPAC name of N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide (CID 6877586) is N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide?
The canonical SMILES for N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide is CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide?
The InChIKey is NURBPWKVHOWODY-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-3-13-6-5-7-14(4-2)17(13)23-18(25)19(26)24-22-11-12-8-9-15(20)16(21)10-12/h5-11H,3-4H2,1-2H3,(H,23,25)(H,24,26)/b22-11+.
What are the key properties of N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide?
N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide has a molecular weight of 392.29 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3,4-dichlorophenyl)methylideneamino]-N-(2,6-diethylphenyl)oxamide is sourced from PubChem (CID 6877586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).