1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea

C13H16F2N2O3 — CID 110936339

IUPAC1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESO=C(NCC1(O)CCOCC1)Nc1cccc(F)c1F
InChIInChI=1S/C13H16F2N2O3/c14-9-2-1-3-10(11(9)15)17-12(18)16-8-13(19)4-6-20-7-5-13/h1-3,19H,4-8H2,(H2,16,17,18)
InChIKeyXTJZHYRFRJBFJG-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.63
Rot. Bonds3

About 1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea

1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea (PubChem CID 110936339) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
PubChem CID110936339
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESO=C(NCC1(O)CCOCC1)Nc1cccc(F)c1F
InChIInChI=1S/C13H16F2N2O3/c14-9-2-1-3-10(11(9)15)17-12(18)16-8-13(19)4-6-20-7-5-13/h1-3,19H,4-8H2,(H2,16,17,18)
InChIKeyXTJZHYRFRJBFJG-UHFFFAOYSA-N
XLogP1.63
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936276
1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936237
2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 104919925
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 111437480
1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521389
1-(2,3-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 75387625
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
4-[(2-amino-3-fluoroanilino)methyl]oxan-4-ol
CID 81134791
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
1-(4-bromophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936206

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The IUPAC name of 1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea (CID 110936339) is 1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea is O=C(NCC1(O)CCOCC1)Nc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The InChIKey is XTJZHYRFRJBFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c14-9-2-1-3-10(11(9)15)17-12(18)16-8-13(19)4-6-20-7-5-13/h1-3,19H,4-8H2,(H2,16,17,18).
What are the key properties of 1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea?
1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea has a molecular weight of 286.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea is sourced from PubChem (CID 110936339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).