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

C17H19ClN2O2 — CID 108883801

IUPAC1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OCCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-13-6-2-3-9-16(13)22-11-5-10-19-17(21)20-15-8-4-7-14(18)12-15/h2-4,6-9,12H,5,10-11H2,1H3,(H2,19,20,21)
InChIKeyCNHYWPJNNJPYIS-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.24
Rot. Bonds6

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

1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108883801) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108883801
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OCCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-13-6-2-3-9-16(13)22-11-5-10-19-17(21)20-15-8-4-7-14(18)12-15/h2-4,6-9,12H,5,10-11H2,1H3,(H2,19,20,21)
InChIKeyCNHYWPJNNJPYIS-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-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883694
1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884020
methyl 3-[3-(2-methylphenoxy)propylcarbamoylamino]benzoate
CID 108884001
1-(3-chlorophenyl)-3-[4-(2-methylphenoxy)but-2-ynyl]urea
CID 90575362
1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838
1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883820
1-(3-chlorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974633
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(3-chlorophenyl)urea
CID 108882394
1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108884029
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883961
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea
CID 112977061
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea (CID 108883801) is 1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea is Cc1ccccc1OCCCNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is CNHYWPJNNJPYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-13-6-2-3-9-16(13)22-11-5-10-19-17(21)20-15-8-4-7-14(18)12-15/h2-4,6-9,12H,5,10-11H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea?
1-(3-chlorophenyl)-3-[3-(2-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-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108883801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).