1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea

C19H23ClN2O2 — CID 112974570

IUPAC1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
SMILESCc1cc(C)c(OCCNC(=O)NCc2ccccc2Cl)c(C)c1
InChIInChI=1S/C19H23ClN2O2/c1-13-10-14(2)18(15(3)11-13)24-9-8-21-19(23)22-12-16-6-4-5-7-17(16)20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,21,22,23)
InChIKeyGKHCIXMFLBMMTL-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.14
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea

1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea (PubChem CID 112974570) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
PubChem CID112974570
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
SMILESCc1cc(C)c(OCCNC(=O)NCc2ccccc2Cl)c(C)c1
InChIInChI=1S/C19H23ClN2O2/c1-13-10-14(2)18(15(3)11-13)24-9-8-21-19(23)22-12-16-6-4-5-7-17(16)20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,21,22,23)
InChIKeyGKHCIXMFLBMMTL-UHFFFAOYSA-N
XLogP4.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.14
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-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969922
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975273
1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975628
1-(pyridin-2-ylmethyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974576
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-chlorophenyl)methyl]urea
CID 112970907
1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974537
1-(3-chlorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974633
1-[(2-methylphenyl)methyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974267
ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate
CID 108897797
1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891006
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974607

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea (CID 112974570) is 1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea is Cc1cc(C)c(OCCNC(=O)NCc2ccccc2Cl)c(C)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The InChIKey is GKHCIXMFLBMMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13-10-14(2)18(15(3)11-13)24-9-8-21-19(23)22-12-16-6-4-5-7-17(16)20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea has a molecular weight of 346.86 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112974570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).