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

C15H15ClN2O2 — CID 78891837

IUPAC1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)NC1CCCc2occc21
InChIInChI=1S/C15H15ClN2O2/c16-10-3-1-4-11(9-10)17-15(19)18-13-5-2-6-14-12(13)7-8-20-14/h1,3-4,7-9,13H,2,5-6H2,(H2,17,18,19)
InChIKeyDDFVNLSOTLLXLD-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.13
Rot. Bonds2

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

1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (PubChem CID 78891837) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
PubChem CID78891837
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)NC1CCCc2occc21
InChIInChI=1S/C15H15ClN2O2/c16-10-3-1-4-11(9-10)17-15(19)18-13-5-2-6-14-12(13)7-8-20-14/h1,3-4,7-9,13H,2,5-6H2,(H2,17,18,19)
InChIKeyDDFVNLSOTLLXLD-UHFFFAOYSA-N
XLogP4.13
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78890822
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891560
1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891853
3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78865142
2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491146
6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide
CID 62233683
1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891580
2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64818167
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
6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 100650137

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (CID 78891837) is 1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is O=C(Nc1cccc(Cl)c1)NC1CCCc2occc21.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The InChIKey is DDFVNLSOTLLXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-10-3-1-4-11(9-10)17-15(19)18-13-5-2-6-14-12(13)7-8-20-14/h1,3-4,7-9,13H,2,5-6H2,(H2,17,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea has a molecular weight of 290.75 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is sourced from PubChem (CID 78891837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).