1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea

C16H23FN2O2 — CID 47010316

IUPAC1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(C(C)NC(=O)NC2CCCCC2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-11(12-8-9-15(21-2)14(17)10-12)18-16(20)19-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H2,18,19,20)
InChIKeyHUFOHKUGWFTDFM-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.53
Rot. Bonds4

About 1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea

1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea (PubChem CID 47010316) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
PubChem CID47010316
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(C(C)NC(=O)NC2CCCCC2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-11(12-8-9-15(21-2)14(17)10-12)18-16(20)19-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H2,18,19,20)
InChIKeyHUFOHKUGWFTDFM-UHFFFAOYSA-N
XLogP3.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 87023467
N-cyclopropyl-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]acetamide
CID 43401121
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 43709599
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892876
3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46530018
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
cis-(1S,2R)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51708004

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea (CID 47010316) is 1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea is COc1ccc(C(C)NC(=O)NC2CCCCC2)cc1F.
What is the InChIKey of 1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea?
The InChIKey is HUFOHKUGWFTDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(12-8-9-15(21-2)14(17)10-12)18-16(20)19-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea?
1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea has a molecular weight of 294.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 47010316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).