N-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide

C20H14N2O2 — CID 6873935

IUPACN-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
InChIInChI=1S/C20H14N2O2/c23-20(19-12-15-7-2-4-11-18(15)24-19)22-21-13-16-9-5-8-14-6-1-3-10-17(14)16/h1-13H,(H,22,23)/b21-13+
InChIKeyMSAGDLPMJMQZTL-FYJGNVAPSA-N
MW314.34 g/mol
LogP4.35
Rot. Bonds3

About N-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide

N-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 6873935) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide
PubChem CID6873935
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC NameN-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1
InChIInChI=1S/C20H14N2O2/c23-20(19-12-15-7-2-4-11-18(15)24-19)22-21-13-16-9-5-8-14-6-1-3-10-17(14)16/h1-13H,(H,22,23)/b21-13+
InChIKeyMSAGDLPMJMQZTL-FYJGNVAPSA-N
XLogP4.35
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 135494677
CID 135494677
CID 6876216
CID 6876216
CID 2492562
CID 2492562
CID 6876336
CID 6876336
CID 9612436
CID 9612436
CID 6874804
CID 6874804
CID 9557333
CID 9557333
CID 9564854
CID 9564854
CID 135648080
CID 135648080
CID 2764524
CID 2764524
CID 6876214
CID 6876214
CID 9558067
CID 9558067

Frequently Asked Questions

What is the IUPAC name of N-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide (CID 6873935) is N-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide is O=C(N/N=C/c1cccc2ccccc12)c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is MSAGDLPMJMQZTL-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20(19-12-15-7-2-4-11-18(15)24-19)22-21-13-16-9-5-8-14-6-1-3-10-17(14)16/h1-13H,(H,22,23)/b21-13+.
What are the key properties of N-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide?
N-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-naphthalen-1-ylmethylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6873935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).