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

C13H12ClN3O — CID 4167003

IUPAC1-anilino-3-(4-chlorophenyl)urea
SMILESO=C(NNc1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O/c14-10-6-8-11(9-7-10)15-13(18)17-16-12-4-2-1-3-5-12/h1-9,16H,(H2,15,17,18)
InChIKeyAGWCZLGCTUBHLR-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.49
Rot. Bonds3

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

1-anilino-3-(4-chlorophenyl)urea (PubChem CID 4167003) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-anilino-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-anilino-3-(4-chlorophenyl)urea
PubChem CID4167003
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name1-anilino-3-(4-chlorophenyl)urea
SMILESO=C(NNc1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O/c14-10-6-8-11(9-7-10)15-13(18)17-16-12-4-2-1-3-5-12/h1-9,16H,(H2,15,17,18)
InChIKeyAGWCZLGCTUBHLR-UHFFFAOYSA-N
XLogP3.49
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
N-[4-(phenylcarbamoylamino)anilino]carbamoyl iodide
CID 88714203
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea
CID 4130294
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
CID 27165314
1-anilino-3-hydroxyurea
CID 2763972
1-anilino-3-pyridin-3-ylurea
CID 47127655
1-(4-chlorophenyl)-3-(N-phenylanilino)urea
CID 4149546
1-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-phenylurea
CID 137156637
1-phenyl-3-[(1S)-2,2,2-trichloro-1-(4-chloroanilino)ethyl]urea
CID 1106952
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(4-chlorophenyl)urea?
The IUPAC name of 1-anilino-3-(4-chlorophenyl)urea (CID 4167003) is 1-anilino-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-anilino-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-anilino-3-(4-chlorophenyl)urea is O=C(NNc1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-anilino-3-(4-chlorophenyl)urea?
The InChIKey is AGWCZLGCTUBHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-10-6-8-11(9-7-10)15-13(18)17-16-12-4-2-1-3-5-12/h1-9,16H,(H2,15,17,18).
What are the key properties of 1-anilino-3-(4-chlorophenyl)urea?
1-anilino-3-(4-chlorophenyl)urea has a molecular weight of 261.71 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(4-chlorophenyl)urea is sourced from PubChem (CID 4167003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).