N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide

C18H16N2O4 — CID 60572574

IUPACN-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
SMILESCONC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H16N2O4/c1-23-20-17(21)10-12-6-8-14(9-7-12)19-18(22)16-11-13-4-2-3-5-15(13)24-16/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeySJVQXLQLMJNHKW-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.91
Rot. Bonds5

About N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide

N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 60572574) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID60572574
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
SMILESCONC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H16N2O4/c1-23-20-17(21)10-12-6-8-14(9-7-12)19-18(22)16-11-13-4-2-3-5-15(13)24-16/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeySJVQXLQLMJNHKW-UHFFFAOYSA-N
XLogP2.91
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate
CID 60572698
[4-(1-benzofuran-2-carbonylamino)phenyl] acetate
CID 6457571
N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56586618
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571787
N-[2-methoxy-4-[(2-phenylacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1349630
N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571464
N-[4-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117653
N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56559124
N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22780436
N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117664
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide (CID 60572574) is N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide is CONC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is SJVQXLQLMJNHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-20-17(21)10-12-6-8-14(9-7-12)19-18(22)16-11-13-4-2-3-5-15(13)24-16/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60572574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).