1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea

C15H12Cl2N2O2 — CID 88785670

IUPAC1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccccc1OC(Cl)=CCl
InChIInChI=1S/C15H12Cl2N2O2/c16-10-14(17)21-13-9-5-4-8-12(13)19-15(20)18-11-6-2-1-3-7-11/h1-10H,(H2,18,19,20)
InChIKeyRWLSAPFVWNYRGM-UHFFFAOYSA-N
MW323.18 g/mol
LogP4.99
Rot. Bonds4

About 1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea

1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea (PubChem CID 88785670) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea
PubChem CID88785670
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccccc1OC(Cl)=CCl
InChIInChI=1S/C15H12Cl2N2O2/c16-10-14(17)21-13-9-5-4-8-12(13)19-15(20)18-11-6-2-1-3-7-11/h1-10H,(H2,18,19,20)
InChIKeyRWLSAPFVWNYRGM-UHFFFAOYSA-N
XLogP4.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 17087022
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4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
CID 168763596
CID 168763596
1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene
CID 135075414
1-(2-methylsulfanylphenyl)-3-phenylurea
CID 966909
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
1-(4-anilino-2-methoxyphenyl)-3-phenylurea
CID 110179401
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea?
The IUPAC name of 1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea (CID 88785670) is 1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea?
The canonical SMILES for 1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccccc1OC(Cl)=CCl.
What is the InChIKey of 1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea?
The InChIKey is RWLSAPFVWNYRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c16-10-14(17)21-13-9-5-4-8-12(13)19-15(20)18-11-6-2-1-3-7-11/h1-10H,(H2,18,19,20).
What are the key properties of 1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea?
1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea has a molecular weight of 323.18 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-dichloroethenoxy)phenyl]-3-phenylurea is sourced from PubChem (CID 88785670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).