1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea

C14H19FN2O2 — CID 94797733

IUPAC1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
SMILESO=C(NCc1ccc(F)cc1)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H19FN2O2/c15-11-7-5-10(6-8-11)9-16-14(19)17-12-3-1-2-4-13(12)18/h5-8,12-13,18H,1-4,9H2,(H2,16,17,19)/t12-,13-/m0/s1
InChIKeyCSQSRDVRZYUFRG-STQMWFEESA-N
MW266.32 g/mol
LogP1.93
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea

1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea (PubChem CID 94797733) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
PubChem CID94797733
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
SMILESO=C(NCc1ccc(F)cc1)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H19FN2O2/c15-11-7-5-10(6-8-11)9-16-14(19)17-12-3-1-2-4-13(12)18/h5-8,12-13,18H,1-4,9H2,(H2,16,17,19)/t12-,13-/m0/s1
InChIKeyCSQSRDVRZYUFRG-STQMWFEESA-N
XLogP1.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110933203
N-[2-[(4-fluorophenyl)methylcarbamoylamino]cyclohexyl]-3-methylbut-2-enamide
CID 23850180
1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea
CID 111109596
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea
CID 110933322
1-[2-(4-fluorophenoxy)propyl]-3-(2-hydroxycyclohexyl)urea
CID 111508697
1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110933352
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea
CID 47133576
1-[(5-cyano-2-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 95968706
1-(2-hydroxycyclohexyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 110933206
1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835587
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
CID 86943887

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea (CID 94797733) is 1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea is O=C(NCc1ccc(F)cc1)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea?
The InChIKey is CSQSRDVRZYUFRG-STQMWFEESA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-11-7-5-10(6-8-11)9-16-14(19)17-12-3-1-2-4-13(12)18/h5-8,12-13,18H,1-4,9H2,(H2,16,17,19)/t12-,13-/m0/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea?
1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea has a molecular weight of 266.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea is sourced from PubChem (CID 94797733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).