1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea

C15H22FN3O2 — CID 63869255

IUPAC1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea
SMILESNC1CCC(OCCNC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN3O2/c16-11-2-1-3-13(10-11)19-15(20)18-8-9-21-14-6-4-12(17)5-7-14/h1-3,10,12,14H,4-9,17H2,(H2,18,19,20)
InChIKeyFXMBJYSPXVAREW-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.23
Rot. Bonds5

About 1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea

1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea (PubChem CID 63869255) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea
PubChem CID63869255
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea
SMILESNC1CCC(OCCNC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN3O2/c16-11-2-1-3-13(10-11)19-15(20)18-8-9-21-14-6-4-12(17)5-7-14/h1-3,10,12,14H,4-9,17H2,(H2,18,19,20)
InChIKeyFXMBJYSPXVAREW-UHFFFAOYSA-N
XLogP2.23
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea
CID 63869416
N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide
CID 63870800
1-[2-(2-chlorophenoxy)ethyl]-3-(3-fluorophenyl)urea
CID 112970688
1-(3-aminobutyl)-3-(3-fluorophenyl)urea
CID 63253702
ethyl 7-[(3-fluorophenyl)carbamoylamino]heptanoate
CID 52658487
1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea
CID 61029509
N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470
1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
CID 106125333
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
CID 107704978
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea (CID 63869255) is 1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea is NC1CCC(OCCNC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea?
The InChIKey is FXMBJYSPXVAREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c16-11-2-1-3-13(10-11)19-15(20)18-8-9-21-14-6-4-12(17)5-7-14/h1-3,10,12,14H,4-9,17H2,(H2,18,19,20).
What are the key properties of 1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea?
1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea has a molecular weight of 295.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 63869255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).