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

C16H13Cl2NO — CID 114302135

IUPAC2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESO=C(NC1c2ccccc2CC1Cl)c1ccccc1Cl
InChIInChI=1S/C16H13Cl2NO/c17-13-8-4-3-7-12(13)16(20)19-15-11-6-2-1-5-10(11)9-14(15)18/h1-8,14-15H,9H2,(H,19,20)
InChIKeyJEGQDDUDMQLBJZ-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.97
Rot. Bonds2

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

2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide (PubChem CID 114302135) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
PubChem CID114302135
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESO=C(NC1c2ccccc2CC1Cl)c1ccccc1Cl
InChIInChI=1S/C16H13Cl2NO/c17-13-8-4-3-7-12(13)16(20)19-15-11-6-2-1-5-10(11)9-14(15)18/h1-8,14-15H,9H2,(H,19,20)
InChIKeyJEGQDDUDMQLBJZ-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.97
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

2-chloro-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 3398398
5-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 82874519
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
4-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 114982975
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
CID 114302198
2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864
3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
CID 114302102
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 114302037
2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 103869650
2-amino-6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107211457
4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 114302056
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide
CID 114302241

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide (CID 114302135) is 2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide is O=C(NC1c2ccccc2CC1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide?
The InChIKey is JEGQDDUDMQLBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c17-13-8-4-3-7-12(13)16(20)19-15-11-6-2-1-5-10(11)9-14(15)18/h1-8,14-15H,9H2,(H,19,20).
What are the key properties of 2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide?
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide has a molecular weight of 306.19 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide is sourced from PubChem (CID 114302135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).