1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea

C15H14Cl2N2O — CID 742650

IUPAC1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c16-13-7-6-12(10-14(13)17)19-15(20)18-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,18,19,20)
InChIKeyUBHGPRKDMGPKQX-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.36
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea

1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea (PubChem CID 742650) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea
PubChem CID742650
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c16-13-7-6-12(10-14(13)17)19-15(20)18-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,18,19,20)
InChIKeyUBHGPRKDMGPKQX-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-Chloro-4-methylphenyl)-3-methylurea
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1-(3-Chlorophenyl)-3-cyclohexylurea
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N-(3-Chlorophenyl)-N'-(4-chlorophenyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea (CID 742650) is 1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea?
The InChIKey is UBHGPRKDMGPKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-13-7-6-12(10-14(13)17)19-15(20)18-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,18,19,20).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea?
1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea has a molecular weight of 309.20 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 742650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).