1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea

C16H22F2N2O3 — CID 111505510

IUPAC1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESO=C(NCc1cccc(OC(F)F)c1)NCC1CCCC(O)C1
InChIInChI=1S/C16H22F2N2O3/c17-15(18)23-14-6-2-4-12(8-14)10-20-16(22)19-9-11-3-1-5-13(21)7-11/h2,4,6,8,11,13,15,21H,1,3,5,7,9-10H2,(H2,19,20,22)
InChIKeyYGMJXEVMUDCYRE-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.64
Rot. Bonds6

About 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea

1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111505510) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111505510
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC Name1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESO=C(NCc1cccc(OC(F)F)c1)NCC1CCCC(O)C1
InChIInChI=1S/C16H22F2N2O3/c17-15(18)23-14-6-2-4-12(8-14)10-20-16(22)19-9-11-3-1-5-13(21)7-11/h2,4,6,8,11,13,15,21H,1,3,5,7,9-10H2,(H2,19,20,22)
InChIKeyYGMJXEVMUDCYRE-UHFFFAOYSA-N
XLogP2.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-hydroxycyclohexyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 111503910
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea
CID 169150536
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618724
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504156
1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea
CID 49479533
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 49467023
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea
CID 111473884
1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835587
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119763033

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111505510) is 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea is O=C(NCc1cccc(OC(F)F)c1)NCC1CCCC(O)C1.
What is the InChIKey of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is YGMJXEVMUDCYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c17-15(18)23-14-6-2-4-12(8-14)10-20-16(22)19-9-11-3-1-5-13(21)7-11/h2,4,6,8,11,13,15,21H,1,3,5,7,9-10H2,(H2,19,20,22).
What are the key properties of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 328.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111505510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).