1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea

C19H24ClN3O2 — CID 112970850

IUPAC1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCCOc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H24ClN3O2/c1-3-23(4-2)17-10-8-16(9-11-17)22-19(24)21-12-13-25-18-7-5-6-15(20)14-18/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,24)
InChIKeyBEOQDNXUJPPMPK-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.39
Rot. Bonds8

About 1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea

1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea (PubChem CID 112970850) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea
PubChem CID112970850
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCCOc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H24ClN3O2/c1-3-23(4-2)17-10-8-16(9-11-17)22-19(24)21-12-13-25-18-7-5-6-15(20)14-18/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,24)
InChIKeyBEOQDNXUJPPMPK-UHFFFAOYSA-N
XLogP4.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970404
1-[4-(diethylamino)phenyl]-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972476
1-[2-(3-chlorophenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112970797
1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973082
N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide
CID 55744579
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
N-[2-(3-chlorophenoxy)ethyl]-4-[ethyl(methyl)amino]benzamide
CID 47081813
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
1-[2-(3-chlorophenoxy)ethyl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56520467
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973017
1-(3-chloro-4-fluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971573

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea (CID 112970850) is 1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea is CCN(CC)c1ccc(NC(=O)NCCOc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea?
The InChIKey is BEOQDNXUJPPMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-3-23(4-2)17-10-8-16(9-11-17)22-19(24)21-12-13-25-18-7-5-6-15(20)14-18/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea?
1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea has a molecular weight of 361.87 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea is sourced from PubChem (CID 112970850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).