1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea

C18H25FN2O2 — CID 164625666

IUPAC1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea
SMILESCC1(C)OCC[C@@H]1CNC(=O)NCc1ccc(C2CC2)cc1F
InChIInChI=1S/C18H25FN2O2/c1-18(2)15(7-8-23-18)11-21-17(22)20-10-14-6-5-13(9-16(14)19)12-3-4-12/h5-6,9,12,15H,3-4,7-8,10-11H2,1-2H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyPBLAHQPSDKTMGT-OAHLLOKOSA-N
MW320.41 g/mol
LogP3.32
Rot. Bonds5

About 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea

1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea (PubChem CID 164625666) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea
PubChem CID164625666
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea
SMILESCC1(C)OCC[C@@H]1CNC(=O)NCc1ccc(C2CC2)cc1F
InChIInChI=1S/C18H25FN2O2/c1-18(2)15(7-8-23-18)11-21-17(22)20-10-14-6-5-13(9-16(14)19)12-3-4-12/h5-6,9,12,15H,3-4,7-8,10-11H2,1-2H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyPBLAHQPSDKTMGT-OAHLLOKOSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea?
The IUPAC name of 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea (CID 164625666) is 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea is CC1(C)OCC[C@@H]1CNC(=O)NCc1ccc(C2CC2)cc1F.
What is the InChIKey of 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea?
The InChIKey is PBLAHQPSDKTMGT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-18(2)15(7-8-23-18)11-21-17(22)20-10-14-6-5-13(9-16(14)19)12-3-4-12/h5-6,9,12,15H,3-4,7-8,10-11H2,1-2H3,(H2,20,21,22)/t15-/m1/s1.
What are the key properties of 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea?
1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea has a molecular weight of 320.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-2-fluorophenyl)methyl]-3-[[(3R)-2,2-dimethyloxolan-3-yl]methyl]urea is sourced from PubChem (CID 164625666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).