1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea

C16H23FN2O3 — CID 97334344

IUPAC1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea
SMILESCOc1cc(CCNC(=O)N[C@@H]2CCCC[C@@H]2O)ccc1F
InChIInChI=1S/C16H23FN2O3/c1-22-15-10-11(6-7-12(15)17)8-9-18-16(21)19-13-4-2-3-5-14(13)20/h6-7,10,13-14,20H,2-5,8-9H2,1H3,(H2,18,19,21)/t13-,14+/m1/s1
InChIKeyWKMUZSZJLGYPNP-KGLIPLIRSA-N
MW310.37 g/mol
LogP1.98
Rot. Bonds5

About 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea

1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea (PubChem CID 97334344) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea
PubChem CID97334344
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea
SMILESCOc1cc(CCNC(=O)N[C@@H]2CCCC[C@@H]2O)ccc1F
InChIInChI=1S/C16H23FN2O3/c1-22-15-10-11(6-7-12(15)17)8-9-18-16(21)19-13-4-2-3-5-14(13)20/h6-7,10,13-14,20H,2-5,8-9H2,1H3,(H2,18,19,21)/t13-,14+/m1/s1
InChIKeyWKMUZSZJLGYPNP-KGLIPLIRSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea
CID 99858814
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1S,2R)-2-methylcyclohexyl]oxamide
CID 40720382
1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
5-[(4-fluoro-3-methoxyphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrolo[1,2-b]pyridazine-7-carboxamide
CID 138571611
1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
CID 110933231
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea
CID 99858558
1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 110933218
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(1R,3R)-3-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 94855250
1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 110775679

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea?
The IUPAC name of 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea (CID 97334344) is 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea.
What is the SMILES notation for 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea?
The canonical SMILES for 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea is COc1cc(CCNC(=O)N[C@@H]2CCCC[C@@H]2O)ccc1F.
What is the InChIKey of 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea?
The InChIKey is WKMUZSZJLGYPNP-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-22-15-10-11(6-7-12(15)17)8-9-18-16(21)19-13-4-2-3-5-14(13)20/h6-7,10,13-14,20H,2-5,8-9H2,1H3,(H2,18,19,21)/t13-,14+/m1/s1.
What are the key properties of 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea?
1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea has a molecular weight of 310.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea is sourced from PubChem (CID 97334344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).