N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide

C15H13IN2O — CID 103997885

IUPACN-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(Nc1ccccc1I)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H13IN2O/c16-13-3-1-2-4-14(13)18-15(19)10-5-6-11-8-17-9-12(11)7-10/h1-7,17H,8-9H2,(H,18,19)
InChIKeySTQFYFNLCZWLAX-UHFFFAOYSA-N
MW364.19 g/mol
LogP3.15
Rot. Bonds2

About N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103997885) has the molecular formula C15H13IN2O and a molecular weight of 364.19 g/mol. Its IUPAC name is N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103997885
Molecular FormulaC15H13IN2O
Molecular Weight364.19 g/mol
Exact Mass364.01
IUPAC NameN-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(Nc1ccccc1I)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H13IN2O/c16-13-3-1-2-4-14(13)18-15(19)10-5-6-11-8-17-9-12(11)7-10/h1-7,17H,8-9H2,(H,18,19)
InChIKeySTQFYFNLCZWLAX-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325719
N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998325
N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997882
3,4-dihydroxy-N-(2-iodophenyl)benzamide
CID 103956209
N-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999166
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991
4-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977721
4-fluoro-N-(2-iodophenyl)benzamide
CID 687036
N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997721
N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998937
4-[(2-iodophenyl)carbamoyl]benzoic acid
CID 43386509
N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 116786865

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103997885) is N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide is O=C(Nc1ccccc1I)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is STQFYFNLCZWLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O/c16-13-3-1-2-4-14(13)18-15(19)10-5-6-11-8-17-9-12(11)7-10/h1-7,17H,8-9H2,(H,18,19).
What are the key properties of N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 364.19 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103997885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).