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

C16H12IN3O — CID 2165485

IUPACN-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(NN=Cc1ccccc1I)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12IN3O/c17-14-7-3-1-5-11(14)9-19-20-16(21)13-10-18-15-8-4-2-6-12(13)15/h1-10,18H,(H,20,21)
InChIKeyMWSRFZUYZFVMHW-UHFFFAOYSA-N
MW389.20 g/mol
LogP3.54
Rot. Bonds3

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

N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 2165485) has the molecular formula C16H12IN3O and a molecular weight of 389.20 g/mol. Its IUPAC name is N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID2165485
Molecular FormulaC16H12IN3O
Molecular Weight389.20 g/mol
Exact Mass389.00
IUPAC NameN-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(NN=Cc1ccccc1I)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12IN3O/c17-14-7-3-1-5-11(14)9-19-20-16(21)13-10-18-15-8-4-2-6-12(13)15/h1-10,18H,(H,20,21)
InChIKeyMWSRFZUYZFVMHW-UHFFFAOYSA-N
XLogP3.54
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.20
LogP ≤ 53.54
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-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide
CID 42991298
N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2329554
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6878706
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6894239
methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate
CID 11588540
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5414551
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357

Frequently Asked Questions

What is the IUPAC name of N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide (CID 2165485) is N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide is O=C(NN=Cc1ccccc1I)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is MWSRFZUYZFVMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN3O/c17-14-7-3-1-5-11(14)9-19-20-16(21)13-10-18-15-8-4-2-6-12(13)15/h1-10,18H,(H,20,21).
What are the key properties of N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide?
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 389.20 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 2165485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).