1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea

C8H9ClN4O — CID 88822075

IUPAC1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea
SMILESNNC(=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN4O/c9-7-3-1-6(2-4-7)5-11-13-8(14)12-10/h1-5H,10H2,(H2,12,13,14)/b11-5+
InChIKeyHWDNCIKSRUPPOO-VZUCSPMQSA-N
MW212.64 g/mol
LogP0.85
Rot. Bonds2

About 1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea

1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea (PubChem CID 88822075) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea
PubChem CID88822075
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea
SMILESNNC(=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN4O/c9-7-3-1-6(2-4-7)5-11-13-8(14)12-10/h1-5H,10H2,(H2,12,13,14)/b11-5+
InChIKeyHWDNCIKSRUPPOO-VZUCSPMQSA-N
XLogP0.85
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea
CID 131985079
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea
CID 110538497
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea
CID 5380313
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[(4-fluorophenyl)methylideneamino]urea
CID 5383880

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea?
The IUPAC name of 1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea (CID 88822075) is 1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea.
What is the SMILES notation for 1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea?
The canonical SMILES for 1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea is NNC(=O)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea?
The InChIKey is HWDNCIKSRUPPOO-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H9ClN4O/c9-7-3-1-6(2-4-7)5-11-13-8(14)12-10/h1-5H,10H2,(H2,12,13,14)/b11-5+.
What are the key properties of 1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea?
1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea has a molecular weight of 212.64 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea is sourced from PubChem (CID 88822075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).