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

C16H13ClINO — CID 103220953

IUPAC3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H13ClINO/c17-14-9-12(5-7-15(14)18)16(20)19-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,19,20)
InChIKeyVCQBBKYWNUXFCT-UHFFFAOYSA-N
MW397.64 g/mol
LogP4.69
Rot. Bonds2

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

3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide (PubChem CID 103220953) has the molecular formula C16H13ClINO and a molecular weight of 397.64 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide
PubChem CID103220953
Molecular FormulaC16H13ClINO
Molecular Weight397.64 g/mol
Exact Mass396.97
IUPAC Name3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H13ClINO/c17-14-9-12(5-7-15(14)18)16(20)19-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,19,20)
InChIKeyVCQBBKYWNUXFCT-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
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

N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
CID 103218765
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7668668
3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide
CID 42467160
3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide
CID 103738054
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 7920749
N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703046
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337
N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide
CID 103218699
N-(2,3-dihydro-1H-inden-5-yl)-4-ethoxybenzamide
CID 2673454

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide (CID 103220953) is 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide is O=C(Nc1ccc2c(c1)CCC2)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide?
The InChIKey is VCQBBKYWNUXFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClINO/c17-14-9-12(5-7-15(14)18)16(20)19-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,19,20).
What are the key properties of 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide?
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide has a molecular weight of 397.64 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide is sourced from PubChem (CID 103220953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).