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

C17H18ClFN2O2 — CID 112970338

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
SMILESO=C(NCCOc1cccc(F)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClFN2O2/c18-14-6-4-13(5-7-14)8-9-20-17(22)21-10-11-23-16-3-1-2-15(19)12-16/h1-7,12H,8-11H2,(H2,20,21,22)
InChIKeySLWCBJLWWZNCEK-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.40
Rot. Bonds7

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

1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea (PubChem CID 112970338) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
PubChem CID112970338
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
SMILESO=C(NCCOc1cccc(F)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClFN2O2/c18-14-6-4-13(5-7-14)8-9-20-17(22)21-10-11-23-16-3-1-2-15(19)12-16/h1-7,12H,8-11H2,(H2,20,21,22)
InChIKeySLWCBJLWWZNCEK-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.40
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-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970330
N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide
CID 110788271
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973017
1-[2-(3-fluorophenoxy)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504937
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 110910257
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 166427822
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea (CID 112970338) is 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea is O=C(NCCOc1cccc(F)c1)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea?
The InChIKey is SLWCBJLWWZNCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c18-14-6-4-13(5-7-14)8-9-20-17(22)21-10-11-23-16-3-1-2-15(19)12-16/h1-7,12H,8-11H2,(H2,20,21,22).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea?
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea has a molecular weight of 336.79 g/mol, XLogP of 3.40, 7 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-(3-fluorophenoxy)ethyl]urea is sourced from PubChem (CID 112970338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).