N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide

C15H13IN2O — CID 63252905

IUPACN-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide
SMILESO=C(Nc1ccc2c(c1)CCN2)c1ccc(I)cc1
InChIInChI=1S/C15H13IN2O/c16-12-3-1-10(2-4-12)15(19)18-13-5-6-14-11(9-13)7-8-17-14/h1-6,9,17H,7-8H2,(H,18,19)
InChIKeySMAJGLUFJIQMLM-UHFFFAOYSA-N
MW364.19 g/mol
LogP3.51
Rot. Bonds2

About N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide

N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide (PubChem CID 63252905) has the molecular formula C15H13IN2O and a molecular weight of 364.19 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide
PubChem CID63252905
Molecular FormulaC15H13IN2O
Molecular Weight364.19 g/mol
Exact Mass364.01
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide
SMILESO=C(Nc1ccc2c(c1)CCN2)c1ccc(I)cc1
InChIInChI=1S/C15H13IN2O/c16-12-3-1-10(2-4-12)15(19)18-13-5-6-14-11(9-13)7-8-17-14/h1-6,9,17H,7-8H2,(H,18,19)
InChIKeySMAJGLUFJIQMLM-UHFFFAOYSA-N
XLogP3.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 79217122
N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide
CID 63252893
N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 63252648
3-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 55169715
N-(2,3-dihydro-1H-indol-5-yl)pyridine-3-carboxamide
CID 63253121
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 63334695
N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide
CID 119473764
N-(2,3-dihydro-1H-indol-5-yl)-3-hydroxy-4-methoxybenzamide
CID 79735171
4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide
CID 63252902
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzamide
CID 63252782
N-[4-(2-hydroxyethyl)phenyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61237345

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide (CID 63252905) is N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide is O=C(Nc1ccc2c(c1)CCN2)c1ccc(I)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide?
The InChIKey is SMAJGLUFJIQMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O/c16-12-3-1-10(2-4-12)15(19)18-13-5-6-14-11(9-13)7-8-17-14/h1-6,9,17H,7-8H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide?
N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide has a molecular weight of 364.19 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide is sourced from PubChem (CID 63252905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).