1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea

C18H21ClN2O2 — CID 112971745

IUPAC1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
SMILESCCc1ccccc1OCCNC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-3-14-6-4-5-7-17(14)23-11-10-20-18(22)21-15-9-8-13(2)16(19)12-15/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyBMMULLOHCORROM-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.41
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea

1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea (PubChem CID 112971745) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
PubChem CID112971745
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
SMILESCCc1ccccc1OCCNC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-3-14-6-4-5-7-17(14)23-11-10-20-18(22)21-15-9-8-13(2)16(19)12-15/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyBMMULLOHCORROM-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
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-chloro-4-methylphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 5221281
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112971734
1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea
CID 112970637
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623
1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
CID 24612567
1-[2-(2-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108900450
1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea
CID 108888748
1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea
CID 112977049
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971735

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea (CID 112971745) is 1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea is CCc1ccccc1OCCNC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea?
The InChIKey is BMMULLOHCORROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-14-6-4-5-7-17(14)23-11-10-20-18(22)21-15-9-8-13(2)16(19)12-15/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea?
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea has a molecular weight of 332.83 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea is sourced from PubChem (CID 112971745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).