1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea

C15H21FN2O2 — CID 65121668

IUPAC1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea
SMILESCC1CCC(O)(CNC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-11-6-8-15(20,9-7-11)10-17-14(19)18-13-4-2-12(16)3-5-13/h2-5,11,20H,6-10H2,1H3,(H2,17,18,19)
InChIKeyONKXCNSYVIZXPC-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.89
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea

1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea (PubChem CID 65121668) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea
PubChem CID65121668
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea
SMILESCC1CCC(O)(CNC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-11-6-8-15(20,9-7-11)10-17-14(19)18-13-4-2-12(16)3-5-13/h2-5,11,20H,6-10H2,1H3,(H2,17,18,19)
InChIKeyONKXCNSYVIZXPC-UHFFFAOYSA-N
XLogP2.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(4-fluorophenyl)urea
CID 113313693
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111425519
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
CID 156825046
4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119892
1-(4-fluorophenyl)-3-pent-3-ynylurea
CID 115976943
2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65120287
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
CID 65119924
N-(4-fluorophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)acetamide
CID 121324975
N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
CID 65119591
1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
CID 106125333

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea (CID 65121668) is 1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea is CC1CCC(O)(CNC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea?
The InChIKey is ONKXCNSYVIZXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11-6-8-15(20,9-7-11)10-17-14(19)18-13-4-2-12(16)3-5-13/h2-5,11,20H,6-10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea?
1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea has a molecular weight of 280.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea is sourced from PubChem (CID 65121668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).