1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea

C15H21FN2O2 — CID 47091719

IUPAC1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESO=C(NCc1ccccc1F)NCC1(O)CCCCC1
InChIInChI=1S/C15H21FN2O2/c16-13-7-3-2-6-12(13)10-17-14(19)18-11-15(20)8-4-1-5-9-15/h2-3,6-7,20H,1,4-5,8-11H2,(H2,17,18,19)
InChIKeyGMECKYJGBMAVMB-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.32
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea

1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea (PubChem CID 47091719) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
PubChem CID47091719
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESO=C(NCc1ccccc1F)NCC1(O)CCCCC1
InChIInChI=1S/C15H21FN2O2/c16-13-7-3-2-6-12(13)10-17-14(19)18-11-15(20)8-4-1-5-9-15/h2-3,6-7,20H,1,4-5,8-11H2,(H2,17,18,19)
InChIKeyGMECKYJGBMAVMB-UHFFFAOYSA-N
XLogP2.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-[(5-cyano-2-fluorophenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111508720
1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea
CID 110013035
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 111433244
1-[(1-hydroxycyclohexyl)methyl]-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]urea
CID 110936545
1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111104097
3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 111446162
2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445871
1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111439162
2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119061
1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426880

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea (CID 47091719) is 1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea is O=C(NCc1ccccc1F)NCC1(O)CCCCC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The InChIKey is GMECKYJGBMAVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-13-7-3-2-6-12(13)10-17-14(19)18-11-15(20)8-4-1-5-9-15/h2-3,6-7,20H,1,4-5,8-11H2,(H2,17,18,19).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea has a molecular weight of 280.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 47091719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).