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

C18H20Cl2N2O2 — CID 112976538

IUPAC1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea
SMILESCc1cc(Cl)ccc1OCCNC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H20Cl2N2O2/c1-13-11-16(20)5-6-17(13)24-10-9-22-18(23)21-8-7-14-3-2-4-15(19)12-14/h2-6,11-12H,7-10H2,1H3,(H2,21,22,23)
InChIKeySVOLPBNTJWDDPO-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.22
Rot. Bonds7

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

1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea (PubChem CID 112976538) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea
PubChem CID112976538
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea
SMILESCc1cc(Cl)ccc1OCCNC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H20Cl2N2O2/c1-13-11-16(20)5-6-17(13)24-10-9-22-18(23)21-8-7-14-3-2-4-15(19)12-14/h2-6,11-12H,7-10H2,1H3,(H2,21,22,23)
InChIKeySVOLPBNTJWDDPO-UHFFFAOYSA-N
XLogP4.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.22
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-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884020
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 112976514
1-[2-(3-chlorophenyl)ethyl]-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973326
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 112976506
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973017
1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108901434
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide
CID 113102587
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2-methylphenoxy)ethyl]urea
CID 60544165
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
1-[2-(3-chlorophenyl)ethyl]-3-(2-cyanoethyl)urea
CID 108901546
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607
1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884018

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea?
The IUPAC name of 1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea (CID 112976538) is 1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea is Cc1cc(Cl)ccc1OCCNC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea?
The InChIKey is SVOLPBNTJWDDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-13-11-16(20)5-6-17(13)24-10-9-22-18(23)21-8-7-14-3-2-4-15(19)12-14/h2-6,11-12H,7-10H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea?
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea has a molecular weight of 367.28 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea is sourced from PubChem (CID 112976538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).