N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide

C19H19N3O3 — CID 28692731

IUPACN-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESNc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C19H19N3O3/c20-14-5-6-16(22-7-9-24-10-8-22)15(12-14)21-19(23)18-11-13-3-1-2-4-17(13)25-18/h1-6,11-12H,7-10,20H2,(H,21,23)
InChIKeyGMLIDUVXYVZVKI-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.10
Rot. Bonds3

About N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide

N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 28692731) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
PubChem CID28692731
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESNc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C19H19N3O3/c20-14-5-6-16(22-7-9-24-10-8-22)15(12-14)21-19(23)18-11-13-3-1-2-4-17(13)25-18/h1-6,11-12H,7-10,20H2,(H,21,23)
InChIKeyGMLIDUVXYVZVKI-UHFFFAOYSA-N
XLogP3.10
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 7922537
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 110900182
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 4800357
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 91675417
N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91675331
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 2670112
N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 134053222
7-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 38910561
methyl 3-(1-benzofuran-2-carbonylamino)-4-(4-ethylpiperazin-1-yl)benzoate
CID 7328887
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-benzofuran-2-carboxamide
CID 26880925
N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide
CID 91675315
N-(5-amino-2-pyrrolidin-1-ylphenyl)naphthalene-1-carboxamide
CID 91675506

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (CID 28692731) is N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is Nc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is GMLIDUVXYVZVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c20-14-5-6-16(22-7-9-24-10-8-22)15(12-14)21-19(23)18-11-13-3-1-2-4-17(13)25-18/h1-6,11-12H,7-10,20H2,(H,21,23).
What are the key properties of N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 28692731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).