5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide

C16H13ClINO — CID 104693585

IUPAC5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide
SMILESO=C(NC1Cc2ccccc2C1)c1cc(Cl)ccc1I
InChIInChI=1S/C16H13ClINO/c17-12-5-6-15(18)14(9-12)16(20)19-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,19,20)
InChIKeyYPHGBMLIVGXQTC-UHFFFAOYSA-N
MW397.64 g/mol
LogP3.84
Rot. Bonds2

About 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide

5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide (PubChem CID 104693585) has the molecular formula C16H13ClINO and a molecular weight of 397.64 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide
PubChem CID104693585
Molecular FormulaC16H13ClINO
Molecular Weight397.64 g/mol
Exact Mass396.97
IUPAC Name5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide
SMILESO=C(NC1Cc2ccccc2C1)c1cc(Cl)ccc1I
InChIInChI=1S/C16H13ClINO/c17-12-5-6-15(18)14(9-12)16(20)19-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,19,20)
InChIKeyYPHGBMLIVGXQTC-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.64
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide
CID 47219742
5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387157
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151
5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid
CID 107853439
N-(2,3-dihydro-1H-inden-2-yl)-2-fluoro-4-hydroxybenzamide
CID 104694744
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 46704851
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide
CID 104693627
5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 38924649
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
5-chloro-2-iodo-N-pyrrol-1-ylbenzamide
CID 103740512

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide?
The IUPAC name of 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide (CID 104693585) is 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide is O=C(NC1Cc2ccccc2C1)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide?
The InChIKey is YPHGBMLIVGXQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClINO/c17-12-5-6-15(18)14(9-12)16(20)19-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,19,20).
What are the key properties of 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide?
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide has a molecular weight of 397.64 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide is sourced from PubChem (CID 104693585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).