7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide

C18H16N2O5 — CID 11588130

IUPAC7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)oc12
InChIInChI=1S/C18H16N2O5/c1-11(12-6-8-14(9-7-12)20(22)23)19-18(21)16-10-13-4-3-5-15(24-2)17(13)25-16/h3-11H,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyVXTDKTOZFFNTQZ-LLVKDONJSA-N
MW340.34 g/mol
LogP3.84
Rot. Bonds5

About 7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 11588130) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID11588130
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)oc12
InChIInChI=1S/C18H16N2O5/c1-11(12-6-8-14(9-7-12)20(22)23)19-18(21)16-10-13-4-3-5-15(24-2)17(13)25-16/h3-11H,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyVXTDKTOZFFNTQZ-LLVKDONJSA-N
XLogP3.84
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-N-[1-(4-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 53281692
7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 133165504
N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 133178584
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 94012379
7-methoxy-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 86889000
N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide
CID 100795374
7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 132659671
7-methoxy-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 125042405
(E)-1-(7-methoxy-1-benzofuran-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 8830605
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 51214021
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide (CID 11588130) is 7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)oc12.
What is the InChIKey of 7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is VXTDKTOZFFNTQZ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-11(12-6-8-14(9-7-12)20(22)23)19-18(21)16-10-13-4-3-5-15(24-2)17(13)25-16/h3-11H,1-2H3,(H,19,21)/t11-/m1/s1.
What are the key properties of 7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 11588130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).