1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea

C14H13ClN4O — CID 137156637

IUPAC1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea
SMILESO=C(N/C=N/Nc1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C14H13ClN4O/c15-11-6-8-13(9-7-11)19-17-10-16-14(20)18-12-4-2-1-3-5-12/h1-10,19H,(H2,16,17,18,20)
InChIKeyPPZQPCGVBNRUSV-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.52
Rot. Bonds4

About 1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea

1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea (PubChem CID 137156637) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea
PubChem CID137156637
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea
SMILESO=C(N/C=N/Nc1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C14H13ClN4O/c15-11-6-8-13(9-7-11)19-17-10-16-14(20)18-12-4-2-1-3-5-12/h1-10,19H,(H2,16,17,18,20)
InChIKeyPPZQPCGVBNRUSV-UHFFFAOYSA-N
XLogP3.52
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
1-(4-chlorophenyl)-3-ethenylurea
CID 108909138
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108909875
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
CID 123176042
CID 123176042
1-(4-chlorophenyl)-3-(N-phenylanilino)urea
CID 4149546
2-[(4-chlorophenyl)carbamothioylamino]-N-phenylacetamide
CID 87893882
1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-phenyl-3-[(1S)-2,2,2-trichloro-1-(4-chloroanilino)ethyl]urea
CID 1106952

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea?
The IUPAC name of 1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea (CID 137156637) is 1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea.
What is the SMILES notation for 1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea?
The canonical SMILES for 1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea is O=C(N/C=N/Nc1ccc(Cl)cc1)Nc1ccccc1.
What is the InChIKey of 1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea?
The InChIKey is PPZQPCGVBNRUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-11-6-8-13(9-7-11)19-17-10-16-14(20)18-12-4-2-1-3-5-12/h1-10,19H,(H2,16,17,18,20).
What are the key properties of 1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea?
1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea has a molecular weight of 288.74 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea is sourced from PubChem (CID 137156637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).