1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea

C17H19ClN2O2 — CID 84514188

IUPAC1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea
SMILESCOc1ccc(CCCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-22-16-10-4-13(5-11-16)3-2-12-19-17(21)20-15-8-6-14(18)7-9-15/h4-11H,2-3,12H2,1H3,(H2,19,20,21)
InChIKeyGHEKJOZRWNVPIK-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.10
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea

1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea (PubChem CID 84514188) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea
PubChem CID84514188
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea
SMILESCOc1ccc(CCCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-22-16-10-4-13(5-11-16)3-2-12-19-17(21)20-15-8-6-14(18)7-9-15/h4-11H,2-3,12H2,1H3,(H2,19,20,21)
InChIKeyGHEKJOZRWNVPIK-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.10
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-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea (CID 84514188) is 1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea is COc1ccc(CCCNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea?
The InChIKey is GHEKJOZRWNVPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-22-16-10-4-13(5-11-16)3-2-12-19-17(21)20-15-8-6-14(18)7-9-15/h4-11H,2-3,12H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea?
1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea has a molecular weight of 318.80 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)propyl]urea is sourced from PubChem (CID 84514188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).