[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea

C11H14ClN3O2 — CID 110540127

IUPAC[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea
SMILESCCCOc1ccc(/C=N\NC(N)=O)cc1Cl
InChIInChI=1S/C11H14ClN3O2/c1-2-5-17-10-4-3-8(6-9(10)12)7-14-15-11(13)16/h3-4,6-7H,2,5H2,1H3,(H3,13,15,16)/b14-7-
InChIKeyQPTNZLIATLALBK-AUWJEWJLSA-N
MW255.71 g/mol
LogP2.13
Rot. Bonds5

About [(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea

[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea (PubChem CID 110540127) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is [(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea
PubChem CID110540127
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea
SMILESCCCOc1ccc(/C=N\NC(N)=O)cc1Cl
InChIInChI=1S/C11H14ClN3O2/c1-2-5-17-10-4-3-8(6-9(10)12)7-14-15-11(13)16/h3-4,6-7H,2,5H2,1H3,(H3,13,15,16)/b14-7-
InChIKeyQPTNZLIATLALBK-AUWJEWJLSA-N
XLogP2.13
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 52.13
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

2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide
CID 110515156
N'-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8988943
[(3-chloro-4-pentoxyphenyl)methylideneamino]thiourea
CID 168534419
[(Z)-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5426311
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387
N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92658024
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
CID 112538734
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110535880

Frequently Asked Questions

What is the IUPAC name of [(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea (CID 110540127) is [(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea is CCCOc1ccc(/C=N\NC(N)=O)cc1Cl.
What is the InChIKey of [(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea?
The InChIKey is QPTNZLIATLALBK-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-2-5-17-10-4-3-8(6-9(10)12)7-14-15-11(13)16/h3-4,6-7H,2,5H2,1H3,(H3,13,15,16)/b14-7-.
What are the key properties of [(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea?
[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea has a molecular weight of 255.71 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 110540127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).