N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide

C18H14N2O2 — CID 96889885

IUPACN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C18H14N2O2/c21-18(17-13-15-10-4-5-11-16(15)22-17)20-19-12-6-9-14-7-2-1-3-8-14/h1-13H,(H,20,21)/b9-6+,19-12+
InChIKeyNQMNADHGGYMEBY-YKIVCEQRSA-N
MW290.32 g/mol
LogP3.86
Rot. Bonds4

About N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide

N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide (PubChem CID 96889885) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
PubChem CID96889885
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C18H14N2O2/c21-18(17-13-15-10-4-5-11-16(15)22-17)20-19-12-6-9-14-7-2-1-3-8-14/h1-13H,(H,20,21)/b9-6+,19-12+
InChIKeyNQMNADHGGYMEBY-YKIVCEQRSA-N
XLogP3.86
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.86
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

copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide
CID 86575254
[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6104350
4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
CID 5427120
N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]furan-2-carboxamide
CID 92534270
1,3-bis(cinnamylideneamino)urea
CID 2823909
N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 124553849
N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5411313
N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5418856
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6882841
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96883350
5-phenyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-1,3,4-oxadiazole-2-carboxamide
CID 129431951
N-(cinnamylideneamino)-2-iodobenzamide
CID 4982683

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide (CID 96889885) is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide is O=C(N/N=C/C=C/c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide?
The InChIKey is NQMNADHGGYMEBY-YKIVCEQRSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-18(17-13-15-10-4-5-11-16(15)22-17)20-19-12-6-9-14-7-2-1-3-8-14/h1-13H,(H,20,21)/b9-6+,19-12+.
What are the key properties of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide?
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 96889885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).