[(Z)-(4-chlorophenyl)methylideneamino]urea

C8H8ClN3O — CID 6079769

IUPAC[(Z)-(4-chlorophenyl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClN3O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5-
InChIKeyRCWJOUWRVQTCSW-WZUFQYTHSA-N
MW197.63 g/mol
LogP1.34
Rot. Bonds2

About [(Z)-(4-chlorophenyl)methylideneamino]urea

[(Z)-(4-chlorophenyl)methylideneamino]urea (PubChem CID 6079769) has the molecular formula C8H8ClN3O and a molecular weight of 197.63 g/mol. Its IUPAC name is [(Z)-(4-chlorophenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(4-chlorophenyl)methylideneamino]urea
PubChem CID6079769
Molecular FormulaC8H8ClN3O
Molecular Weight197.63 g/mol
Exact Mass197.04
IUPAC Name[(Z)-(4-chlorophenyl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClN3O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5-
InChIKeyRCWJOUWRVQTCSW-WZUFQYTHSA-N
XLogP1.34
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.63
LogP ≤ 51.34
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

1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea
CID 88822075
[(E)-benzylideneamino]urea
CID 6861419
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
CID 2588651
[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea
CID 168533832
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium
CID 6864967
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
CID 63318884
[(3-chloro-2,4-difluorophenyl)methylideneamino]urea
CID 168531838
[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea
CID 9017296
1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 172915818

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-chlorophenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(4-chlorophenyl)methylideneamino]urea (CID 6079769) is [(Z)-(4-chlorophenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(4-chlorophenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(4-chlorophenyl)methylideneamino]urea is NC(=O)N/N=C\c1ccc(Cl)cc1.
What is the InChIKey of [(Z)-(4-chlorophenyl)methylideneamino]urea?
The InChIKey is RCWJOUWRVQTCSW-WZUFQYTHSA-N. The full InChI is InChI=1S/C8H8ClN3O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5-.
What are the key properties of [(Z)-(4-chlorophenyl)methylideneamino]urea?
[(Z)-(4-chlorophenyl)methylideneamino]urea has a molecular weight of 197.63 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-chlorophenyl)methylideneamino]urea is sourced from PubChem (CID 6079769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).