N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide

C22H16IN3O — CID 70159294

IUPACN-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NN=Cc1ccc(I)cc1)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C22H16IN3O/c23-17-12-10-15(11-13-17)14-24-26-22(27)21-20(16-6-2-1-3-7-16)18-8-4-5-9-19(18)25-21/h1-14,25H,(H,26,27)
InChIKeyVGGQLSXKRLKBCG-UHFFFAOYSA-N
MW465.29 g/mol
LogP5.20
Rot. Bonds4

About N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide

N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 70159294) has the molecular formula C22H16IN3O and a molecular weight of 465.29 g/mol. Its IUPAC name is N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
PubChem CID70159294
Molecular FormulaC22H16IN3O
Molecular Weight465.29 g/mol
Exact Mass465.03
IUPAC NameN-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NN=Cc1ccc(I)cc1)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C22H16IN3O/c23-17-12-10-15(11-13-17)14-24-26-22(27)21-20(16-6-2-1-3-7-16)18-8-4-5-9-19(18)25-21/h1-14,25H,(H,26,27)
InChIKeyVGGQLSXKRLKBCG-UHFFFAOYSA-N
XLogP5.20
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.29
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 10272869
N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 70130221
N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137
5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 135517136
N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 135418261
3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide
CID 10157205
N-[(4-chlorophenyl)methylideneamino]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 70119737
N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70119777
2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid
CID 91078245
[2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 126401311
5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10203805

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide (CID 70159294) is N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is O=C(NN=Cc1ccc(I)cc1)c1[nH]c2ccccc2c1-c1ccccc1.
What is the InChIKey of N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is VGGQLSXKRLKBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16IN3O/c23-17-12-10-15(11-13-17)14-24-26-22(27)21-20(16-6-2-1-3-7-16)18-8-4-5-9-19(18)25-21/h1-14,25H,(H,26,27).
What are the key properties of N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 465.29 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 70159294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).