1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea

C16H23FN2O3 — CID 97020554

IUPAC1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea
SMILESCOc1cccc(F)c1[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H23FN2O3/c1-10(15-11(17)6-5-9-14(15)22-2)18-16(21)19-12-7-3-4-8-13(12)20/h5-6,9-10,12-13,20H,3-4,7-8H2,1-2H3,(H2,18,19,21)/t10-,12+,13-/m0/s1
InChIKeySWUXGHXQALFLGY-UHTWSYAYSA-N
MW310.37 g/mol
LogP2.50
Rot. Bonds4

About 1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea

1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea (PubChem CID 97020554) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea
PubChem CID97020554
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea
SMILESCOc1cccc(F)c1[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H23FN2O3/c1-10(15-11(17)6-5-9-14(15)22-2)18-16(21)19-12-7-3-4-8-13(12)20/h5-6,9-10,12-13,20H,3-4,7-8H2,1-2H3,(H2,18,19,21)/t10-,12+,13-/m0/s1
InChIKeySWUXGHXQALFLGY-UHTWSYAYSA-N
XLogP2.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea with MolForge

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Related Compounds

4-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122003838
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 124855059
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111474132
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 99107240
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139
9-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990957
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119335121
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508273
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 95968288

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea?
The IUPAC name of 1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea (CID 97020554) is 1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea.
What is the SMILES notation for 1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea?
The canonical SMILES for 1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea is COc1cccc(F)c1[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of 1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea?
The InChIKey is SWUXGHXQALFLGY-UHTWSYAYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-10(15-11(17)6-5-9-14(15)22-2)18-16(21)19-12-7-3-4-8-13(12)20/h5-6,9-10,12-13,20H,3-4,7-8H2,1-2H3,(H2,18,19,21)/t10-,12+,13-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea?
1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea has a molecular weight of 310.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea is sourced from PubChem (CID 97020554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).