[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea

C10H12ClN3O2 — CID 5426098

IUPAC[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
SMILESCCOc1ccc(Cl)cc1/C=N\NC(N)=O
InChIInChI=1S/C10H12ClN3O2/c1-2-16-9-4-3-8(11)5-7(9)6-13-14-10(12)15/h3-6H,2H2,1H3,(H3,12,14,15)/b13-6-
InChIKeyHQKDSIAPCKVYAY-MLPAPPSSSA-N
MW241.68 g/mol
LogP1.74
Rot. Bonds4

About [(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea

[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea (PubChem CID 5426098) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is [(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
PubChem CID5426098
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
SMILESCCOc1ccc(Cl)cc1/C=N\NC(N)=O
InChIInChI=1S/C10H12ClN3O2/c1-2-16-9-4-3-8(11)5-7(9)6-13-14-10(12)15/h3-6H,2H2,1H3,(H3,12,14,15)/b13-6-
InChIKeyHQKDSIAPCKVYAY-MLPAPPSSSA-N
XLogP1.74
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]thiourea
CID 5412812
[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168532744
[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]urea
CID 168532706
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246115
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 126103010
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126055864
[[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea
CID 3559416
2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide
CID 126382035
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 126110168
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
CID 6219987
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 8990204
ethyl N-[[5-chloro-2-[3-(4-chlorophenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 5142623

Frequently Asked Questions

What is the IUPAC name of [(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea (CID 5426098) is [(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea is CCOc1ccc(Cl)cc1/C=N\NC(N)=O.
What is the InChIKey of [(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea?
The InChIKey is HQKDSIAPCKVYAY-MLPAPPSSSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-2-16-9-4-3-8(11)5-7(9)6-13-14-10(12)15/h3-6H,2H2,1H3,(H3,12,14,15)/b13-6-.
What are the key properties of [(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea?
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea has a molecular weight of 241.68 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 5426098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).