1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea

C17H22F2N2O2 — CID 75381393

IUPAC1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea
SMILESCC(NC(=O)NC1CC1c1cccc(F)c1F)C1CCOCC1
InChIInChI=1S/C17H22F2N2O2/c1-10(11-5-7-23-8-6-11)20-17(22)21-15-9-13(15)12-3-2-4-14(18)16(12)19/h2-4,10-11,13,15H,5-9H2,1H3,(H2,20,21,22)
InChIKeyZBUWCNYVGHLYPI-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.93
Rot. Bonds4

About 1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea

1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea (PubChem CID 75381393) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea
PubChem CID75381393
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea
SMILESCC(NC(=O)NC1CC1c1cccc(F)c1F)C1CCOCC1
InChIInChI=1S/C17H22F2N2O2/c1-10(11-5-7-23-8-6-11)20-17(22)21-15-9-13(15)12-3-2-4-14(18)16(12)19/h2-4,10-11,13,15H,5-9H2,1H3,(H2,20,21,22)
InChIKeyZBUWCNYVGHLYPI-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Oxan-4-ylmethyl)-3-(3-phenylpropyl)urea
CID 108913037
1-((1-(4-Fluorophenyl)cyclopropyl)methyl)-3-(2-methoxyethyl)urea
CID 45497264
1-Cycloheptyl-3-{[4-(4-fluorophenyl)oxan-4-yl]methyl}urea
CID 71796603
1-[1-(4-Fluorophenyl)ethyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 71990752
1-[1-(3,4-Difluorophenyl)ethyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 71990756
1-Cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea
CID 75371413
1-[1-(3-Fluorophenyl)propan-2-yl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 75374826
1-[(3-Fluorophenyl)methyl]-3-methyl-3-[(oxan-4-YL)methyl]urea
CID 91914985
3-[(4-Fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 110875744
1-allyl-3-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)urea
CID 45561194
3-[(4-Methyloxan-4-YL)methyl]-1-(2-phenylethyl)urea
CID 71686920
3-Methyl-3-[(oxan-4-YL)methyl]-1-(2-phenylethyl)urea
CID 91914989

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea?
The IUPAC name of 1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea (CID 75381393) is 1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea?
The canonical SMILES for 1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea is CC(NC(=O)NC1CC1c1cccc(F)c1F)C1CCOCC1.
What is the InChIKey of 1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea?
The InChIKey is ZBUWCNYVGHLYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-10(11-5-7-23-8-6-11)20-17(22)21-15-9-13(15)12-3-2-4-14(18)16(12)19/h2-4,10-11,13,15H,5-9H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea?
1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea has a molecular weight of 324.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluorophenyl)cyclopropyl]-3-[1-(oxan-4-yl)ethyl]urea is sourced from PubChem (CID 75381393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).