1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

C15H14ClFN2O2 — CID 78890822

IUPAC1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESO=C(Nc1ccc(Cl)c(F)c1)NC1CCCc2occc21
InChIInChI=1S/C15H14ClFN2O2/c16-11-5-4-9(8-12(11)17)18-15(20)19-13-2-1-3-14-10(13)6-7-21-14/h4-8,13H,1-3H2,(H2,18,19,20)
InChIKeyVLIVYAXMDBQEMJ-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.27
Rot. Bonds2

About 1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (PubChem CID 78890822) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
PubChem CID78890822
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESO=C(Nc1ccc(Cl)c(F)c1)NC1CCCc2occc21
InChIInChI=1S/C15H14ClFN2O2/c16-11-5-4-9(8-12(11)17)18-15(20)19-13-2-1-3-14-10(13)6-7-21-14/h4-8,13H,1-3H2,(H2,18,19,20)
InChIKeyVLIVYAXMDBQEMJ-UHFFFAOYSA-N
XLogP4.27
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891837
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891560
1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891853
5-chloro-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734211
2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491146
1-(4-iodo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891844
1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78890613
1-(2-hydroxycyclohexyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 110933290
5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734129
2-chloro-5-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 103891865
1-(2-bromo-4-fluoroanilino)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891451

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (CID 78890822) is 1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is O=C(Nc1ccc(Cl)c(F)c1)NC1CCCc2occc21.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The InChIKey is VLIVYAXMDBQEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-11-5-4-9(8-12(11)17)18-15(20)19-13-2-1-3-14-10(13)6-7-21-14/h4-8,13H,1-3H2,(H2,18,19,20).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea has a molecular weight of 308.74 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is sourced from PubChem (CID 78890822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).