[(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea

C16H14F2N2O3 — CID 67598866

IUPAC[(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea
SMILESNC(=O)N[C@@H]1COc2cc(OCc3c(F)cccc3F)ccc21
InChIInChI=1S/C16H14F2N2O3/c17-12-2-1-3-13(18)11(12)7-22-9-4-5-10-14(20-16(19)21)8-23-15(10)6-9/h1-6,14H,7-8H2,(H3,19,20,21)/t14-/m1/s1
InChIKeySIUWEKCLWGRSCJ-CQSZACIVSA-N
MW320.30 g/mol
LogP2.65
Rot. Bonds4

About [(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea

[(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea (PubChem CID 67598866) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is [(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea.

Molecular Properties

Compound Name[(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea
PubChem CID67598866
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name[(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea
SMILESNC(=O)N[C@@H]1COc2cc(OCc3c(F)cccc3F)ccc21
InChIInChI=1S/C16H14F2N2O3/c17-12-2-1-3-13(18)11(12)7-22-9-4-5-10-14(20-16(19)21)8-23-15(10)6-9/h1-6,14H,7-8H2,(H3,19,20,21)/t14-/m1/s1
InChIKeySIUWEKCLWGRSCJ-CQSZACIVSA-N
XLogP2.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea?
The IUPAC name of [(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea (CID 67598866) is [(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea.
What is the SMILES notation for [(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea?
The canonical SMILES for [(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea is NC(=O)N[C@@H]1COc2cc(OCc3c(F)cccc3F)ccc21.
What is the InChIKey of [(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea?
The InChIKey is SIUWEKCLWGRSCJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c17-12-2-1-3-13(18)11(12)7-22-9-4-5-10-14(20-16(19)21)8-23-15(10)6-9/h1-6,14H,7-8H2,(H3,19,20,21)/t14-/m1/s1.
What are the key properties of [(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea?
[(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea has a molecular weight of 320.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]urea is sourced from PubChem (CID 67598866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).