1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea

C15H21FN2O2 — CID 111472992

IUPAC1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCc1ccc(F)cc1NC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C15H21FN2O2/c1-10-5-6-12(16)8-14(10)18-15(20)17-9-11-3-2-4-13(19)7-11/h5-6,8,11,13,19H,2-4,7,9H2,1H3,(H2,17,18,20)
InChIKeyHHEIVUOTYWPURW-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.81
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea

1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111472992) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111472992
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCc1ccc(F)cc1NC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C15H21FN2O2/c1-10-5-6-12(16)8-14(10)18-15(20)17-9-11-3-2-4-13(19)7-11/h5-6,8,11,13,19H,2-4,7,9H2,1H3,(H2,17,18,20)
InChIKeyHHEIVUOTYWPURW-UHFFFAOYSA-N
XLogP2.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473171
1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111475233
1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472842
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374
1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474346
1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111503713
1-[2-[ethyl(methyl)amino]phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474827
1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473697
1-(3-bromo-5-fluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111476022
1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea
CID 111473593
5-fluoro-2-hydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103739156

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111472992) is 1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea is Cc1ccc(F)cc1NC(=O)NCC1CCCC(O)C1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is HHEIVUOTYWPURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-5-6-12(16)8-14(10)18-15(20)17-9-11-3-2-4-13(19)7-11/h5-6,8,11,13,19H,2-4,7,9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 280.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111472992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).