N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide

C14H11BrINOS — CID 114312765

IUPACN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide
SMILESO=C(NC1c2ccccc2CC1Br)c1csc(I)c1
InChIInChI=1S/C14H11BrINOS/c15-11-5-8-3-1-2-4-10(8)13(11)17-14(18)9-6-12(16)19-7-9/h1-4,6-7,11,13H,5H2,(H,17,18)
InChIKeyZMDPMDLFJDEQIQ-UHFFFAOYSA-N
MW448.12 g/mol
LogP4.14
Rot. Bonds2

About N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide

N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide (PubChem CID 114312765) has the molecular formula C14H11BrINOS and a molecular weight of 448.12 g/mol. Its IUPAC name is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide
PubChem CID114312765
Molecular FormulaC14H11BrINOS
Molecular Weight448.12 g/mol
Exact Mass446.88
IUPAC NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide
SMILESO=C(NC1c2ccccc2CC1Br)c1csc(I)c1
InChIInChI=1S/C14H11BrINOS/c15-11-5-8-3-1-2-4-10(8)13(11)17-14(18)9-6-12(16)19-7-9/h1-4,6-7,11,13H,5H2,(H,17,18)
InChIKeyZMDPMDLFJDEQIQ-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.12
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-3-iodobenzamide
CID 114312900
N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide
CID 104693627
5-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-3-carboxamide
CID 103816737
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 61369497
3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 114312819
5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312742
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312884
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide
CID 114312817
N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide
CID 95621563
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61368559
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide
CID 114312813
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-3-methylsulfanylpropanamide
CID 114312848

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide (CID 114312765) is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide is O=C(NC1c2ccccc2CC1Br)c1csc(I)c1.
What is the InChIKey of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is ZMDPMDLFJDEQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrINOS/c15-11-5-8-3-1-2-4-10(8)13(11)17-14(18)9-6-12(16)19-7-9/h1-4,6-7,11,13H,5H2,(H,17,18).
What are the key properties of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide?
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 448.12 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 114312765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).