N-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide

C22H15BrN2O2 — CID 66557630

IUPACN-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(/N=C/c2ccc(Br)cc2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C22H15BrN2O2/c23-17-7-5-15(6-8-17)14-24-18-9-11-19(12-10-18)25-22(26)21-13-16-3-1-2-4-20(16)27-21/h1-14H,(H,25,26)/b24-14+
InChIKeyMEJBOBIVHRHBBI-ZVHZXABRSA-N
MW419.28 g/mol
LogP6.20
Rot. Bonds4

About N-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide

N-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 66557630) has the molecular formula C22H15BrN2O2 and a molecular weight of 419.28 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID66557630
Molecular FormulaC22H15BrN2O2
Molecular Weight419.28 g/mol
Exact Mass418.03
IUPAC NameN-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(/N=C/c2ccc(Br)cc2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C22H15BrN2O2/c23-17-7-5-15(6-8-17)14-24-18-9-11-19(12-10-18)25-22(26)21-13-16-3-1-2-4-20(16)27-21/h1-14H,(H,25,26)/b24-14+
InChIKeyMEJBOBIVHRHBBI-ZVHZXABRSA-N
XLogP6.20
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.28
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
1-(1-benzofuran-2-carbonylamino)-3-(4-bromophenyl)thiourea
CID 11257786
N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide
CID 135633703
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
CID 5427120
N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571787
[4-(1-benzofuran-2-carbonylamino)phenyl] acetate
CID 6457571
N-[4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1016193
N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide
CID 91260047
N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5411313
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide (CID 66557630) is N-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccc(/N=C/c2ccc(Br)cc2)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is MEJBOBIVHRHBBI-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H15BrN2O2/c23-17-7-5-15(6-8-17)14-24-18-9-11-19(12-10-18)25-22(26)21-13-16-3-1-2-4-20(16)27-21/h1-14H,(H,25,26)/b24-14+.
What are the key properties of N-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 419.28 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 66557630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).