[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea

C9H9Cl2N3O — CID 5495611

IUPAC[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2N3O/c1-5(13-14-9(12)15)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H3,12,14,15)/b13-5+
InChIKeyRNPCDQNIIZVNNZ-WLRTZDKTSA-N
MW246.10 g/mol
LogP2.39
Rot. Bonds2

About [(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea

[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea (PubChem CID 5495611) has the molecular formula C9H9Cl2N3O and a molecular weight of 246.10 g/mol. Its IUPAC name is [(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea.

Molecular Properties

Compound Name[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
PubChem CID5495611
Molecular FormulaC9H9Cl2N3O
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2N3O/c1-5(13-14-9(12)15)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H3,12,14,15)/b13-5+
InChIKeyRNPCDQNIIZVNNZ-WLRTZDKTSA-N
XLogP2.39
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
[(E)-1-(4-chloro-3-pyrrol-1-ylphenyl)ethylideneamino]urea
CID 54598673
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
CID 3439287
[[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea
CID 3249905
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
CID 5410906
4-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]benzoic acid
CID 155250087
N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
CID 6020603
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
CID 6059481
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
CID 5438350
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 46804642
[1-(4-tert-butylphenyl)ethylideneamino]urea
CID 5041387

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea?
The IUPAC name of [(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea (CID 5495611) is [(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea.
What is the SMILES notation for [(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea?
The canonical SMILES for [(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea is C/C(=N\NC(N)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea?
The InChIKey is RNPCDQNIIZVNNZ-WLRTZDKTSA-N. The full InChI is InChI=1S/C9H9Cl2N3O/c1-5(13-14-9(12)15)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H3,12,14,15)/b13-5+.
What are the key properties of [(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea?
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea has a molecular weight of 246.10 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea is sourced from PubChem (CID 5495611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).