N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide

C23H25N3O3 — CID 119536846

IUPACN-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCC1CCNC1
InChIInChI=1S/C23H25N3O3/c27-22(25-12-10-17-9-11-24-15-17)13-16-5-7-19(8-6-16)26-23(28)21-14-18-3-1-2-4-20(18)29-21/h1-8,14,17,24H,9-13,15H2,(H,25,27)(H,26,28)
InChIKeyHEYSQQXNUPJIDE-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.34
Rot. Bonds7

About N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide

N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 119536846) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID119536846
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCC1CCNC1
InChIInChI=1S/C23H25N3O3/c27-22(25-12-10-17-9-11-24-15-17)13-16-5-7-19(8-6-16)26-23(28)21-14-18-3-1-2-4-20(18)29-21/h1-8,14,17,24H,9-13,15H2,(H,25,27)(H,26,28)
InChIKeyHEYSQQXNUPJIDE-UHFFFAOYSA-N
XLogP3.34
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56586618
methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate
CID 60572698
5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119533543
N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56559124
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119380514
N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572617
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 93216054
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571787
2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630422

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide (CID 119536846) is N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide is O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCC1CCNC1.
What is the InChIKey of N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is HEYSQQXNUPJIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-22(25-12-10-17-9-11-24-15-17)13-16-5-7-19(8-6-16)26-23(28)21-14-18-3-1-2-4-20(18)29-21/h1-8,14,17,24H,9-13,15H2,(H,25,27)(H,26,28).
What are the key properties of N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119536846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).