N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide

C16H11IN2O2 — CID 124553849

IUPACN-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1I)c1cc2ccccc2o1
InChIInChI=1S/C16H11IN2O2/c17-13-7-3-1-6-12(13)10-18-19-16(20)15-9-11-5-2-4-8-14(11)21-15/h1-10H,(H,19,20)/b18-10+
InChIKeyBKVCXGZGLNNTOT-VCHYOVAHSA-N
MW390.18 g/mol
LogP3.80
Rot. Bonds3

About N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide

N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 124553849) has the molecular formula C16H11IN2O2 and a molecular weight of 390.18 g/mol. Its IUPAC name is N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID124553849
Molecular FormulaC16H11IN2O2
Molecular Weight390.18 g/mol
Exact Mass389.99
IUPAC NameN-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1I)c1cc2ccccc2o1
InChIInChI=1S/C16H11IN2O2/c17-13-7-3-1-6-12(13)10-18-19-16(20)15-9-11-5-2-4-8-14(11)21-15/h1-10H,(H,19,20)/b18-10+
InChIKeyBKVCXGZGLNNTOT-VCHYOVAHSA-N
XLogP3.80
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.18
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
CID 5426350
2-[2-[(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
CID 958206
4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
CID 5427120
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6873936
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3919047
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 96878778
N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5411313
N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5418856
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96883350
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6882841
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
CID 96889885
N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137162400

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide (CID 124553849) is N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide is O=C(N/N=C/c1ccccc1I)c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is BKVCXGZGLNNTOT-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H11IN2O2/c17-13-7-3-1-6-12(13)10-18-19-16(20)15-9-11-5-2-4-8-14(11)21-15/h1-10H,(H,19,20)/b18-10+.
What are the key properties of N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 390.18 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 124553849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).