(6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone

C15H13IN2O — CID 28978839

IUPAC(6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone
SMILESNc1ccc2c(c1)N(C(=O)c1cccc(I)c1)CC2
InChIInChI=1S/C15H13IN2O/c16-12-3-1-2-11(8-12)15(19)18-7-6-10-4-5-13(17)9-14(10)18/h1-5,8-9H,6-7,17H2
InChIKeyFSXZKFIQMRRBKN-UHFFFAOYSA-N
MW364.19 g/mol
LogP3.08
Rot. Bonds1

About (6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone

(6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone (PubChem CID 28978839) has the molecular formula C15H13IN2O and a molecular weight of 364.19 g/mol. Its IUPAC name is (6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone
PubChem CID28978839
Molecular FormulaC15H13IN2O
Molecular Weight364.19 g/mol
Exact Mass364.01
IUPAC Name(6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone
SMILESNc1ccc2c(c1)N(C(=O)c1cccc(I)c1)CC2
InChIInChI=1S/C15H13IN2O/c16-12-3-1-2-11(8-12)15(19)18-7-6-10-4-5-13(17)9-14(10)18/h1-5,8-9H,6-7,17H2
InChIKeyFSXZKFIQMRRBKN-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone
CID 62266196
(6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107674453
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 28707170
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107687651
(6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107959291
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
(3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63779175
(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone
CID 28776949
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 62266720
(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone
CID 65306128
(6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone
CID 65205964
1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
CID 20773361

Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone?
The IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone (CID 28978839) is (6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone.
What is the SMILES notation for (6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone?
The canonical SMILES for (6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone is Nc1ccc2c(c1)N(C(=O)c1cccc(I)c1)CC2.
What is the InChIKey of (6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone?
The InChIKey is FSXZKFIQMRRBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O/c16-12-3-1-2-11(8-12)15(19)18-7-6-10-4-5-13(17)9-14(10)18/h1-5,8-9H,6-7,17H2.
What are the key properties of (6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone?
(6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone has a molecular weight of 364.19 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone is sourced from PubChem (CID 28978839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).