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

C19H24FN3O2 — CID 112970404

IUPAC1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCCOc2cccc(F)c2)cc1
InChIInChI=1S/C19H24FN3O2/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)
InChIKeyQEMDKYFWWJEDBN-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.87
Rot. Bonds8

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

1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea (PubChem CID 112970404) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea
PubChem CID112970404
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCCOc2cccc(F)c2)cc1
InChIInChI=1S/C19H24FN3O2/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)
InChIKeyQEMDKYFWWJEDBN-UHFFFAOYSA-N
XLogP3.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.87
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-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea
CID 112970850
1-[4-(diethylamino)phenyl]-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972476
1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973082
1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 112970406
1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970330
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970527
1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride
CID 108887125
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112972756
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 110910257

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea (CID 112970404) is 1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea is CCN(CC)c1ccc(NC(=O)NCCOc2cccc(F)c2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea?
The InChIKey is QEMDKYFWWJEDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/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-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea?
1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea has a molecular weight of 345.42 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea is sourced from PubChem (CID 112970404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).