1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea

C16H16ClN3O — CID 110538497

IUPAC1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea
SMILESCCc1ccc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN3O/c1-2-12-3-5-13(6-4-12)11-18-20-16(21)19-15-9-7-14(17)8-10-15/h3-11H,2H2,1H3,(H2,19,20,21)/b18-11-
InChIKeyYXJCFPGHOQGACW-WQRHYEAKSA-N
MW301.78 g/mol
LogP4.06
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea

1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea (PubChem CID 110538497) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea
PubChem CID110538497
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea
SMILESCCc1ccc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN3O/c1-2-12-3-5-13(6-4-12)11-18-20-16(21)19-15-9-7-14(17)8-10-15/h3-11H,2H2,1H3,(H2,19,20,21)/b18-11-
InChIKeyYXJCFPGHOQGACW-WQRHYEAKSA-N
XLogP4.06
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.06
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-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
1-(4-chlorophenyl)-3-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]urea
CID 110535990
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148
1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 682276
1-(4-chlorophenyl)-3-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]urea
CID 110535001
1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea
CID 88822075
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide
CID 39388462
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
1-[(E)-(4-ethylphenyl)methylideneamino]-3-phenylthiourea
CID 7264044
1-(4-chlorophenyl)-3-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]urea
CID 110532392

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea (CID 110538497) is 1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea is CCc1ccc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea?
The InChIKey is YXJCFPGHOQGACW-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-2-12-3-5-13(6-4-12)11-18-20-16(21)19-15-9-7-14(17)8-10-15/h3-11H,2H2,1H3,(H2,19,20,21)/b18-11-.
What are the key properties of 1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea?
1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea has a molecular weight of 301.78 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea is sourced from PubChem (CID 110538497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).