1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea

C16H23FN2O2 — CID 110775679

IUPAC1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(F)cc1CCNC(=O)NC1CCCCC1
InChIInChI=1S/C16H23FN2O2/c1-21-15-8-7-13(17)11-12(15)9-10-18-16(20)19-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10H2,1H3,(H2,18,19,20)
InChIKeyYDFLUASCVQCBNE-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.01
Rot. Bonds5

About 1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea

1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea (PubChem CID 110775679) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
PubChem CID110775679
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(F)cc1CCNC(=O)NC1CCCCC1
InChIInChI=1S/C16H23FN2O2/c1-21-15-8-7-13(17)11-12(15)9-10-18-16(20)19-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10H2,1H3,(H2,18,19,20)
InChIKeyYDFLUASCVQCBNE-UHFFFAOYSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[(5-fluoro-2-methoxyphenyl)methyl]urea
CID 110774857
1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea
CID 110775953
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448
1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
CID 110775836
1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea
CID 61013606
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
CID 96548269
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 8726213
N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109013977
2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992729

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea (CID 110775679) is 1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea is COc1ccc(F)cc1CCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea?
The InChIKey is YDFLUASCVQCBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-21-15-8-7-13(17)11-12(15)9-10-18-16(20)19-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea?
1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea has a molecular weight of 294.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 110775679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).