1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea

C18H21ClN2O2 — CID 108883611

IUPAC1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NCCCOc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-13-7-5-8-14(2)17(13)21-18(22)20-11-6-12-23-16-10-4-3-9-15(16)19/h3-5,7-10H,6,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyDGMDFFZFQFONPH-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.55
Rot. Bonds6

About 1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea

1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea (PubChem CID 108883611) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
PubChem CID108883611
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NCCCOc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-13-7-5-8-14(2)17(13)21-18(22)20-11-6-12-23-16-10-4-3-9-15(16)19/h3-5,7-10H,6,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyDGMDFFZFQFONPH-UHFFFAOYSA-N
XLogP4.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.55
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-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea
CID 108883413
1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea
CID 112970637
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883961
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
1-(3-chloropropyl)-3-(2,6-dimethylphenyl)urea
CID 13326597
1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea
CID 108883534
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883554
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883684
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea (CID 108883611) is 1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)NCCCOc1ccccc1Cl.
What is the InChIKey of 1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea?
The InChIKey is DGMDFFZFQFONPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-13-7-5-8-14(2)17(13)21-18(22)20-11-6-12-23-16-10-4-3-9-15(16)19/h3-5,7-10H,6,11-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea?
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea has a molecular weight of 332.83 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 108883611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).