[(E)-1-(4-chlorophenyl)ethylideneamino]urea

C9H10ClN3O — CID 5465093

IUPAC[(E)-1-(4-chlorophenyl)ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN3O/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)/b12-6+
InChIKeyNRVQPAZCFBJKNE-WUXMJOGZSA-N
MW211.65 g/mol
LogP1.73
Rot. Bonds2

About [(E)-1-(4-chlorophenyl)ethylideneamino]urea

[(E)-1-(4-chlorophenyl)ethylideneamino]urea (PubChem CID 5465093) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is [(E)-1-(4-chlorophenyl)ethylideneamino]urea.

Molecular Properties

Compound Name[(E)-1-(4-chlorophenyl)ethylideneamino]urea
PubChem CID5465093
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name[(E)-1-(4-chlorophenyl)ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN3O/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)/b12-6+
InChIKeyNRVQPAZCFBJKNE-WUXMJOGZSA-N
XLogP1.73
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.73
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

6-(4-Chlorophenyl)-2,3-dihydropyridazin-3-one
CID 689085
2-(1-Phenylethylidene)-1-hydrazinecarboxamide
CID 5359742
4-Chlorobenzaldehyde semicarbazone
CID 9566093
2-(1-(2-Chlorophenyl)ethylidene)hydrazinecarboxamide
CID 5747816
(1E)-1-(3-chlorophenyl)propan-1-one thiosemicarbazone
CID 10331944
Acetophenone, 4'-chloro-, thiosemicarbazone
CID 5354097
Acetophenone semicarbazone
CID 5371921
N'-[1-(4-chlorophenyl)ethylidene]hexanohydrazide
CID 5720765
3'-Chloroacetophenone semicarbazone
CID 9569552
N'-[1-(4-chlorophenyl)ethylidene]cyclopropanecarbohydrazide
CID 9605883
[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]thiourea
CID 54768957
1-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea
CID 71720535

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(4-chlorophenyl)ethylideneamino]urea?
The IUPAC name of [(E)-1-(4-chlorophenyl)ethylideneamino]urea (CID 5465093) is [(E)-1-(4-chlorophenyl)ethylideneamino]urea.
What is the SMILES notation for [(E)-1-(4-chlorophenyl)ethylideneamino]urea?
The canonical SMILES for [(E)-1-(4-chlorophenyl)ethylideneamino]urea is C/C(=N\NC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of [(E)-1-(4-chlorophenyl)ethylideneamino]urea?
The InChIKey is NRVQPAZCFBJKNE-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)/b12-6+.
What are the key properties of [(E)-1-(4-chlorophenyl)ethylideneamino]urea?
[(E)-1-(4-chlorophenyl)ethylideneamino]urea has a molecular weight of 211.65 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-chlorophenyl)ethylideneamino]urea is sourced from PubChem (CID 5465093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).