1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea

C18H21ClN2O3 — CID 112975273

IUPAC1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
SMILESCOc1cc(C)ccc1OCCNC(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-13-7-8-16(17(11-13)23-2)24-10-9-20-18(22)21-12-14-5-3-4-6-15(14)19/h3-8,11H,9-10,12H2,1-2H3,(H2,20,21,22)
InChIKeyCNDHAACFOLGDIE-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.54
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea

1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea (PubChem CID 112975273) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
PubChem CID112975273
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
SMILESCOc1cc(C)ccc1OCCNC(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-13-7-8-16(17(11-13)23-2)24-10-9-20-18(22)21-12-14-5-3-4-6-15(14)19/h3-8,11H,9-10,12H2,1-2H3,(H2,20,21,22)
InChIKeyCNDHAACFOLGDIE-UHFFFAOYSA-N
XLogP3.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969922
1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975628
1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974570
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108883586
1-[2-(2-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 112970590
1-(3,5-dimethylphenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975337
1-(3-chloro-4-fluorophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975360
2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 2520945
1-[(2-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974424
1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea
CID 112975367
1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975399

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea (CID 112975273) is 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea is COc1cc(C)ccc1OCCNC(=O)NCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea?
The InChIKey is CNDHAACFOLGDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-13-7-8-16(17(11-13)23-2)24-10-9-20-18(22)21-12-14-5-3-4-6-15(14)19/h3-8,11H,9-10,12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea?
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea has a molecular weight of 348.83 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112975273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).