2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide

C15H18N2O2 — CID 175527345

IUPAC2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide
SMILESNC(=O)c1cccc2oc(CCN3CCCC3)cc12
InChIInChI=1S/C15H18N2O2/c16-15(18)12-4-3-5-14-13(12)10-11(19-14)6-9-17-7-1-2-8-17/h3-5,10H,1-2,6-9H2,(H2,16,18)
InChIKeyFKBKDPQZYSTMTH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.17
Rot. Bonds4

About 2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide

2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide (PubChem CID 175527345) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide
PubChem CID175527345
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide
SMILESNC(=O)c1cccc2oc(CCN3CCCC3)cc12
InChIInChI=1S/C15H18N2O2/c16-15(18)12-4-3-5-14-13(12)10-11(19-14)6-9-17-7-1-2-8-17/h3-5,10H,1-2,6-9H2,(H2,16,18)
InChIKeyFKBKDPQZYSTMTH-UHFFFAOYSA-N
XLogP2.17
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide
CID 69180819
2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine
CID 117172221
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815
2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 55212248
2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 170503321
2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 63569906
2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 18676129
2-[(dimethylamino)methyl]-1-benzofuran-4-carboxylic acid
CID 117172424
N-methyl-N-[1-[2-(4-oxochromen-2-yl)ethyl]piperidin-4-yl]propanamide
CID 19761216
2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 115546016
3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 118695162
2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide
CID 55097569

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide?
The IUPAC name of 2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide (CID 175527345) is 2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide is NC(=O)c1cccc2oc(CCN3CCCC3)cc12.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide?
The InChIKey is FKBKDPQZYSTMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-15(18)12-4-3-5-14-13(12)10-11(19-14)6-9-17-7-1-2-8-17/h3-5,10H,1-2,6-9H2,(H2,16,18).
What are the key properties of 2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide?
2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide is sourced from PubChem (CID 175527345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).