1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea

C14H19FN2O2 — CID 47202448

IUPAC1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
SMILESCOc1cc(F)ccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C14H19FN2O2/c1-19-13-9-10(15)7-8-12(13)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18)
InChIKeyDVHRETNWFSHAIN-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.29
Rot. Bonds3

About 1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea

1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea (PubChem CID 47202448) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
PubChem CID47202448
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
SMILESCOc1cc(F)ccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C14H19FN2O2/c1-19-13-9-10(15)7-8-12(13)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18)
InChIKeyDVHRETNWFSHAIN-UHFFFAOYSA-N
XLogP3.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6470715
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
1-cyclopentyl-3-[(5-fluoro-2-methoxyphenyl)methyl]urea
CID 110774857
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 110775679
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea
CID 75533935
(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 32608102
(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945091
1-cyclohexyl-3-(2-methoxy-5-propylphenyl)urea
CID 146221893
1-(2-bromo-5-fluorophenyl)-3-cyclobutylurea
CID 103755930

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea (CID 47202448) is 1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea is COc1cc(F)ccc1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea?
The InChIKey is DVHRETNWFSHAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-13-9-10(15)7-8-12(13)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea?
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea has a molecular weight of 266.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea is sourced from PubChem (CID 47202448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).