N-cyclopentylbenzo[e][1]benzofuran-2-carboxamide

C18H17NO2 — CID 749682

IUPACN-cyclopentylbenzo[e][1]benzofuran-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C18H17NO2/c20-18(19-13-6-2-3-7-13)17-11-15-14-8-4-1-5-12(14)9-10-16(15)21-17/h1,4-5,8-11,13H,2-3,6-7H2,(H,19,20)
InChIKeyVPROQYQBNVRYST-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.26
Rot. Bonds2

About N-cyclopentylbenzo[e][1]benzofuran-2-carboxamide

N-cyclopentylbenzo[e][1]benzofuran-2-carboxamide (PubChem CID 749682) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-cyclopentylbenzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentylbenzo[e][1]benzofuran-2-carboxamide
PubChem CID749682
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-cyclopentylbenzo[e][1]benzofuran-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C18H17NO2/c20-18(19-13-6-2-3-7-13)17-11-15-14-8-4-1-5-12(14)9-10-16(15)21-17/h1,4-5,8-11,13H,2-3,6-7H2,(H,19,20)
InChIKeyVPROQYQBNVRYST-UHFFFAOYSA-N
XLogP4.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentylbenzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-cyclopentylbenzo[e][1]benzofuran-2-carboxamide (CID 749682) is N-cyclopentylbenzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclopentylbenzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-cyclopentylbenzo[e][1]benzofuran-2-carboxamide is O=C(NC1CCCC1)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of N-cyclopentylbenzo[e][1]benzofuran-2-carboxamide?
The InChIKey is VPROQYQBNVRYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-18(19-13-6-2-3-7-13)17-11-15-14-8-4-1-5-12(14)9-10-16(15)21-17/h1,4-5,8-11,13H,2-3,6-7H2,(H,19,20).
What are the key properties of N-cyclopentylbenzo[e][1]benzofuran-2-carboxamide?
N-cyclopentylbenzo[e][1]benzofuran-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylbenzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 749682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).