1-amino-3-(4-chlorophenyl)-1-phenylurea

C13H12ClN3O — CID 174468778

IUPAC1-amino-3-(4-chlorophenyl)-1-phenylurea
SMILESNN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H12ClN3O/c14-10-6-8-11(9-7-10)16-13(18)17(15)12-4-2-1-3-5-12/h1-9H,15H2,(H,16,18)
InChIKeyWVFQZOAKLMDCON-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.25
Rot. Bonds2

About 1-amino-3-(4-chlorophenyl)-1-phenylurea

1-amino-3-(4-chlorophenyl)-1-phenylurea (PubChem CID 174468778) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-amino-3-(4-chlorophenyl)-1-phenylurea.

Molecular Properties

Compound Name1-amino-3-(4-chlorophenyl)-1-phenylurea
PubChem CID174468778
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name1-amino-3-(4-chlorophenyl)-1-phenylurea
SMILESNN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H12ClN3O/c14-10-6-8-11(9-7-10)16-13(18)17(15)12-4-2-1-3-5-12/h1-9H,15H2,(H,16,18)
InChIKeyWVFQZOAKLMDCON-UHFFFAOYSA-N
XLogP3.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-(N-phenylanilino)urea
CID 4149546
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
CID 60829611
1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea
CID 2359267
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea
CID 4130294
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
1-(4-chlorophenyl)-3-ethenylurea
CID 108909138
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739
N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide
CID 108516639
3-[(4-chlorophenyl)carbamoyl]but-3-enoic acid
CID 71372890

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-chlorophenyl)-1-phenylurea?
The IUPAC name of 1-amino-3-(4-chlorophenyl)-1-phenylurea (CID 174468778) is 1-amino-3-(4-chlorophenyl)-1-phenylurea.
What is the SMILES notation for 1-amino-3-(4-chlorophenyl)-1-phenylurea?
The canonical SMILES for 1-amino-3-(4-chlorophenyl)-1-phenylurea is NN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-amino-3-(4-chlorophenyl)-1-phenylurea?
The InChIKey is WVFQZOAKLMDCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-10-6-8-11(9-7-10)16-13(18)17(15)12-4-2-1-3-5-12/h1-9H,15H2,(H,16,18).
What are the key properties of 1-amino-3-(4-chlorophenyl)-1-phenylurea?
1-amino-3-(4-chlorophenyl)-1-phenylurea has a molecular weight of 261.71 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-chlorophenyl)-1-phenylurea is sourced from PubChem (CID 174468778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).