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

C19H23ClN2O2 — CID 112971684

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea
SMILESCCc1ccccc1OCCNC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-2-16-5-3-4-6-18(16)24-14-13-22-19(23)21-12-11-15-7-9-17(20)10-8-15/h3-10H,2,11-14H2,1H3,(H2,21,22,23)
InChIKeySZZBMSRVAHBCBB-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.82
Rot. Bonds8

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

1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea (PubChem CID 112971684) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea
PubChem CID112971684
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea
SMILESCCc1ccccc1OCCNC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-2-16-5-3-4-6-18(16)24-14-13-22-19(23)21-12-11-15-7-9-17(20)10-8-15/h3-10H,2,11-14H2,1H3,(H2,21,22,23)
InChIKeySZZBMSRVAHBCBB-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.82
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-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 112971668
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877443
1-[2-(2-ethylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 112971654
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112971807
N-[2-(2-ethylphenoxy)ethyl]propanamide
CID 113099835
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971745
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 17208464
1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea
CID 108883382

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea (CID 112971684) is 1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea is CCc1ccccc1OCCNC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea?
The InChIKey is SZZBMSRVAHBCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-2-16-5-3-4-6-18(16)24-14-13-22-19(23)21-12-11-15-7-9-17(20)10-8-15/h3-10H,2,11-14H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea?
1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea has a molecular weight of 346.86 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea is sourced from PubChem (CID 112971684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).