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

C17H15Cl2NO — CID 114302102

IUPAC3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC2c3ccccc3CC2Cl)c1
InChIInChI=1S/C17H15Cl2NO/c1-10-6-12(8-13(18)7-10)17(21)20-16-14-5-3-2-4-11(14)9-15(16)19/h2-8,15-16H,9H2,1H3,(H,20,21)
InChIKeyOTPCNXBNOLEHII-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.28
Rot. Bonds2

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

3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide (PubChem CID 114302102) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
PubChem CID114302102
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC2c3ccccc3CC2Cl)c1
InChIInChI=1S/C17H15Cl2NO/c1-10-6-12(8-13(18)7-10)17(21)20-16-14-5-3-2-4-11(14)9-15(16)19/h2-8,15-16H,9H2,1H3,(H,20,21)
InChIKeyOTPCNXBNOLEHII-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide
CID 114302241
4-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 114982975
5-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 82874519
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
CID 111696432
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
CID 114302198
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methyl-5-nitrobenzamide
CID 111696318
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 115694749
2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864
4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 114302056

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide?
The IUPAC name of 3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide (CID 114302102) is 3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NC2c3ccccc3CC2Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide?
The InChIKey is OTPCNXBNOLEHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-10-6-12(8-13(18)7-10)17(21)20-16-14-5-3-2-4-11(14)9-15(16)19/h2-8,15-16H,9H2,1H3,(H,20,21).
What are the key properties of 3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide?
3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide has a molecular weight of 320.22 g/mol, XLogP of 4.28, 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-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide is sourced from PubChem (CID 114302102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).