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

C16H14ClIN2O — CID 103209666

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H14ClIN2O/c17-13-8-10(1-5-14(13)18)16(21)20-15-6-2-9-7-11(19)3-4-12(9)15/h1,3-5,7-8,15H,2,6,19H2,(H,20,21)
InChIKeySNEWDSUGPHKOOB-UHFFFAOYSA-N
MW412.66 g/mol
LogP3.94
Rot. Bonds2

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

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide (PubChem CID 103209666) has the molecular formula C16H14ClIN2O and a molecular weight of 412.66 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide
PubChem CID103209666
Molecular FormulaC16H14ClIN2O
Molecular Weight412.66 g/mol
Exact Mass411.98
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H14ClIN2O/c17-13-8-10(1-5-14(13)18)16(21)20-15-6-2-9-7-11(19)3-4-12(9)15/h1,3-5,7-8,15H,2,6,19H2,(H,20,21)
InChIKeySNEWDSUGPHKOOB-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.66
LogP ≤ 53.94
H-Bond Donors ≤ 52
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

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide
CID 79721854
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide
CID 107940112
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-5-methylbenzamide
CID 81316696
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide
CID 116649897
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide
CID 106688572
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
CID 82870824
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide
CID 155718277

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide (CID 103209666) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide is Nc1ccc2c(c1)CCC2NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide?
The InChIKey is SNEWDSUGPHKOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClIN2O/c17-13-8-10(1-5-14(13)18)16(21)20-15-6-2-9-7-11(19)3-4-12(9)15/h1,3-5,7-8,15H,2,6,19H2,(H,20,21).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide has a molecular weight of 412.66 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide is sourced from PubChem (CID 103209666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).