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

C14H18F2N2O2 — CID 125159828

IUPAC1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea
SMILESO=C(NCC[C@H]1CCCOC1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O2/c15-11-3-4-13(12(16)8-11)18-14(19)17-6-5-10-2-1-7-20-9-10/h3-4,8,10H,1-2,5-7,9H2,(H2,17,18,19)/t10-/m1/s1
InChIKeyVDMVHURRQAJBSU-SNVBAGLBSA-N
MW284.31 g/mol
LogP2.90
Rot. Bonds4

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

1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea (PubChem CID 125159828) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea
PubChem CID125159828
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea
SMILESO=C(NCC[C@H]1CCCOC1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O2/c15-11-3-4-13(12(16)8-11)18-14(19)17-6-5-10-2-1-7-20-9-10/h3-4,8,10H,1-2,5-7,9H2,(H2,17,18,19)/t10-/m1/s1
InChIKeyVDMVHURRQAJBSU-SNVBAGLBSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3S)-oxan-3-yl]ethyl]-3-(2,3,5-trifluorophenyl)urea
CID 125177285
1-(3-chloro-2-fluorophenyl)-3-[2-(oxan-3-yl)ethyl]urea
CID 118771660
1-(2,4-difluorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912997
1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea
CID 118782410
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea
CID 118777650
N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 110863603
1-(2-fluorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 60895338
1-(2-cyanoethyl)-3-(2,4-difluorophenyl)urea
CID 60676650
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
CID 107302722
1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
CID 103918695
1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea
CID 63237113
1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3R)-oxolan-3-yl]propyl]urea
CID 97437885

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea (CID 125159828) is 1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea is O=C(NCC[C@H]1CCCOC1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea?
The InChIKey is VDMVHURRQAJBSU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-11-3-4-13(12(16)8-11)18-14(19)17-6-5-10-2-1-7-20-9-10/h3-4,8,10H,1-2,5-7,9H2,(H2,17,18,19)/t10-/m1/s1.
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea?
1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea has a molecular weight of 284.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea is sourced from PubChem (CID 125159828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).