1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea

C14H18F2N2O2 — CID 111474346

IUPAC1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESO=C(NCC1CCCC(O)C1)Nc1cccc(F)c1F
InChIInChI=1S/C14H18F2N2O2/c15-11-5-2-6-12(13(11)16)18-14(20)17-8-9-3-1-4-10(19)7-9/h2,5-6,9-10,19H,1,3-4,7-8H2,(H2,17,18,20)
InChIKeyQZYGIUDYTCEPOI-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.64
Rot. Bonds3

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

1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111474346) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111474346
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESO=C(NCC1CCCC(O)C1)Nc1cccc(F)c1F
InChIInChI=1S/C14H18F2N2O2/c15-11-5-2-6-12(13(11)16)18-14(20)17-8-9-3-1-4-10(19)7-9/h2,5-6,9-10,19H,1,3-4,7-8H2,(H2,17,18,20)
InChIKeyQZYGIUDYTCEPOI-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.64
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-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea
CID 111473593
1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472992
3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699998
1-[2-[ethyl(methyl)amino]phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474827
1-(2-fluorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106125111
1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472842
1-(2-chlorophenyl)-3-[[(1S,3S)-3-[[(2-chlorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27138030
N'-(2,3-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490668
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 43834022
1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111475233
1-(3-bromo-5-fluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111476022

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111474346) is 1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea is O=C(NCC1CCCC(O)C1)Nc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is QZYGIUDYTCEPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-11-5-2-6-12(13(11)16)18-14(20)17-8-9-3-1-4-10(19)7-9/h2,5-6,9-10,19H,1,3-4,7-8H2,(H2,17,18,20).
What are the key properties of 1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 284.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111474346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).