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

C17H25ClN2O2 — CID 11186401

IUPAC1-(3-chlorophenyl)-3-(4-oxodecyl)urea
SMILESCCCCCCC(=O)CCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O2/c1-2-3-4-5-10-16(21)11-7-12-19-17(22)20-15-9-6-8-14(18)13-15/h6,8-9,13H,2-5,7,10-12H2,1H3,(H2,19,20,22)
InChIKeyVABLYLQIAMERCO-UHFFFAOYSA-N
MW324.85 g/mol
LogP4.78
Rot. Bonds10

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

1-(3-chlorophenyl)-3-(4-oxodecyl)urea (PubChem CID 11186401) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-oxodecyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-oxodecyl)urea
PubChem CID11186401
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name1-(3-chlorophenyl)-3-(4-oxodecyl)urea
SMILESCCCCCCC(=O)CCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O2/c1-2-3-4-5-10-16(21)11-7-12-19-17(22)20-15-9-6-8-14(18)13-15/h6,8-9,13H,2-5,7,10-12H2,1H3,(H2,19,20,22)
InChIKeyVABLYLQIAMERCO-UHFFFAOYSA-N
XLogP4.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-oxodecyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-oxodecyl)urea (CID 11186401) is 1-(3-chlorophenyl)-3-(4-oxodecyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-oxodecyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-oxodecyl)urea is CCCCCCC(=O)CCCNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-oxodecyl)urea?
The InChIKey is VABLYLQIAMERCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-2-3-4-5-10-16(21)11-7-12-19-17(22)20-15-9-6-8-14(18)13-15/h6,8-9,13H,2-5,7,10-12H2,1H3,(H2,19,20,22).
What are the key properties of 1-(3-chlorophenyl)-3-(4-oxodecyl)urea?
1-(3-chlorophenyl)-3-(4-oxodecyl)urea has a molecular weight of 324.85 g/mol, XLogP of 4.78, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-oxodecyl)urea is sourced from PubChem (CID 11186401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).