1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide

C19H20ClNO2 — CID 86924024

IUPAC1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide
SMILESO=C(NC1CCCc2occc21)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C19H20ClNO2/c20-14-5-1-4-13(12-14)19(9-3-10-19)18(22)21-16-6-2-7-17-15(16)8-11-23-17/h1,4-5,8,11-12,16H,2-3,6-7,9-10H2,(H,21,22)
InChIKeyGOIOQUMESZTVLI-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.55
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide (PubChem CID 86924024) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide
PubChem CID86924024
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide
SMILESO=C(NC1CCCc2occc21)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C19H20ClNO2/c20-14-5-1-4-13(12-14)19(9-3-10-19)18(22)21-16-6-2-7-17-15(16)8-11-23-17/h1,4-5,8,11-12,16H,2-3,6-7,9-10H2,(H,21,22)
InChIKeyGOIOQUMESZTVLI-UHFFFAOYSA-N
XLogP4.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide (CID 86924024) is 1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide is O=C(NC1CCCc2occc21)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide?
The InChIKey is GOIOQUMESZTVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c20-14-5-1-4-13(12-14)19(9-3-10-19)18(22)21-16-6-2-7-17-15(16)8-11-23-17/h1,4-5,8,11-12,16H,2-3,6-7,9-10H2,(H,21,22).
What are the key properties of 1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 86924024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).