1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea

C19H15ClN4O — CID 4677729

IUPAC1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H15ClN4O/c20-14-6-8-15(9-7-14)21-19(25)22-16-10-12-18(13-11-16)24-23-17-4-2-1-3-5-17/h1-13H,(H2,21,22,25)/b24-23+
InChIKeyCABZNNDEQVORIT-WCWDXBQESA-N
MW350.81 g/mol
LogP6.40
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea

1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea (PubChem CID 4677729) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
PubChem CID4677729
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H15ClN4O/c20-14-6-8-15(9-7-14)21-19(25)22-16-10-12-18(13-11-16)24-23-17-4-2-1-3-5-17/h1-13H,(H2,21,22,25)/b24-23+
InChIKeyCABZNNDEQVORIT-WCWDXBQESA-N
XLogP6.40
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.81
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 165365429
2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7544010
2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide
CID 5180654
2,6-dichloro-N-(4-phenyldiazenylphenyl)benzamide
CID 3386476
(2R,3R)-2,3-bis[(4-chlorobenzoyl)oxy]-4-oxo-4-(4-phenyldiazenylanilino)butanoic acid
CID 126383497
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide
CID 55342078
N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 21498516
4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 4289928
3-(4-phenyldiazenylanilino)-3-sulfanylidenepropanoic acid
CID 20978380

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea (CID 4677729) is 1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea?
The InChIKey is CABZNNDEQVORIT-WCWDXBQESA-N. The full InChI is InChI=1S/C19H15ClN4O/c20-14-6-8-15(9-7-14)21-19(25)22-16-10-12-18(13-11-16)24-23-17-4-2-1-3-5-17/h1-13H,(H2,21,22,25)/b24-23+.
What are the key properties of 1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea?
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea has a molecular weight of 350.81 g/mol, XLogP of 6.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea is sourced from PubChem (CID 4677729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).