1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea

C18H21ClN2O2 — CID 112974484

IUPAC1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
SMILESCc1cc(C)c(OCCNC(=O)Nc2ccccc2Cl)cc1C
InChIInChI=1S/C18H21ClN2O2/c1-12-10-14(3)17(11-13(12)2)23-9-8-20-18(22)21-16-7-5-4-6-15(16)19/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22)
InChIKeyNUHYOCCYCJHTON-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.47
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea

1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea (PubChem CID 112974484) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
PubChem CID112974484
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
SMILESCc1cc(C)c(OCCNC(=O)Nc2ccccc2Cl)cc1C
InChIInChI=1S/C18H21ClN2O2/c1-12-10-14(3)17(11-13(12)2)23-9-8-20-18(22)21-16-7-5-4-6-15(16)19/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22)
InChIKeyNUHYOCCYCJHTON-UHFFFAOYSA-N
XLogP4.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.47
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-propan-2-yloxyphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974497
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974475
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112974507
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
1-[(2-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974424
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973750
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-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea (CID 112974484) is 1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea is Cc1cc(C)c(OCCNC(=O)Nc2ccccc2Cl)cc1C.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The InChIKey is NUHYOCCYCJHTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12-10-14(3)17(11-13(12)2)23-9-8-20-18(22)21-16-7-5-4-6-15(16)19/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea has a molecular weight of 332.83 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112974484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).