1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea

C17H19ClN2O2 — CID 108881220

IUPAC1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
SMILESCc1ccc(OCCCNC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-13-7-9-14(10-8-13)22-12-4-11-19-17(21)20-16-6-3-2-5-15(16)18/h2-3,5-10H,4,11-12H2,1H3,(H2,19,20,21)
InChIKeyHPQWMRLGXPDVRL-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.24
Rot. Bonds6

About 1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea

1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea (PubChem CID 108881220) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
PubChem CID108881220
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
SMILESCc1ccc(OCCCNC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-13-7-9-14(10-8-13)22-12-4-11-19-17(21)20-16-6-3-2-5-15(16)18/h2-3,5-10H,4,11-12H2,1H3,(H2,19,20,21)
InChIKeyHPQWMRLGXPDVRL-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881211
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881295
1-(3-butoxypropyl)-3-(2-chlorophenyl)urea
CID 78793865
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105
butyl 2-[3-(4-methylphenoxy)propylcarbamoylamino]benzoate
CID 108881291
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881452
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974484
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972760

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea (CID 108881220) is 1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea is Cc1ccc(OCCCNC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea?
The InChIKey is HPQWMRLGXPDVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-13-7-9-14(10-8-13)22-12-4-11-19-17(21)20-16-6-3-2-5-15(16)18/h2-3,5-10H,4,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea?
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea has a molecular weight of 318.80 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea is sourced from PubChem (CID 108881220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).