1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea

C16H23FN2O3 — CID 94594223

IUPAC1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea
SMILESC[C@@H](COc1ccccc1F)NC(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H23FN2O3/c1-11(10-22-15-5-3-2-4-14(15)17)18-16(21)19-12-6-8-13(20)9-7-12/h2-5,11-13,20H,6-10H2,1H3,(H2,18,19,21)/t11-,12?,13?/m0/s1
InChIKeyIOACFGHHVVQVBW-HIFPTAJRSA-N
MW310.37 g/mol
LogP2.20
Rot. Bonds5

About 1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea

1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 94594223) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea
PubChem CID94594223
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea
SMILESC[C@@H](COc1ccccc1F)NC(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H23FN2O3/c1-11(10-22-15-5-3-2-4-14(15)17)18-16(21)19-12-6-8-13(20)9-7-12/h2-5,11-13,20H,6-10H2,1H3,(H2,18,19,21)/t11-,12?,13?/m0/s1
InChIKeyIOACFGHHVVQVBW-HIFPTAJRSA-N
XLogP2.20
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea
CID 94192179
1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea
CID 96541637
(2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide
CID 94198152
2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 95159960
N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 60577814
N-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl-methylamino]propanamide
CID 55432130
2-(2-fluorophenoxy)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 94623553
(2R)-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95154419
1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 75374781
1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea
CID 86826887
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea (CID 94594223) is 1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea is C[C@@H](COc1ccccc1F)NC(=O)NC1CCC(O)CC1.
What is the InChIKey of 1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is IOACFGHHVVQVBW-HIFPTAJRSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-11(10-22-15-5-3-2-4-14(15)17)18-16(21)19-12-6-8-13(20)9-7-12/h2-5,11-13,20H,6-10H2,1H3,(H2,18,19,21)/t11-,12?,13?/m0/s1.
What are the key properties of 1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea?
1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 310.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 94594223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).