1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea

C16H23FN2O2 — CID 56764368

IUPAC1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC(O)C1CCCCC1
InChIInChI=1S/C16H23FN2O2/c17-14-8-6-12(7-9-14)10-18-16(21)19-11-15(20)13-4-2-1-3-5-13/h6-9,13,15,20H,1-5,10-11H2,(H2,18,19,21)
InChIKeyDMCBKKMTZLJQPD-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.57
Rot. Bonds5

About 1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea

1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea (PubChem CID 56764368) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea
PubChem CID56764368
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC(O)C1CCCCC1
InChIInChI=1S/C16H23FN2O2/c17-14-8-6-12(7-9-14)10-18-16(21)19-11-15(20)13-4-2-1-3-5-13/h6-9,13,15,20H,1-5,10-11H2,(H2,18,19,21)
InChIKeyDMCBKKMTZLJQPD-UHFFFAOYSA-N
XLogP2.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea (CID 56764368) is 1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea is O=C(NCc1ccc(F)cc1)NCC(O)C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is DMCBKKMTZLJQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-14-8-6-12(7-9-14)10-18-16(21)19-11-15(20)13-4-2-1-3-5-13/h6-9,13,15,20H,1-5,10-11H2,(H2,18,19,21).
What are the key properties of 1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea?
1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 294.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-2-hydroxyethyl)-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 56764368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).