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

C16H13BrClNO — CID 107853184

IUPAC4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide
SMILESO=C(NC1Cc2ccccc2C1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H13BrClNO/c17-14-6-5-12(9-15(14)18)16(20)19-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,19,20)
InChIKeyWBPPYZCNWQWRKM-UHFFFAOYSA-N
MW350.64 g/mol
LogP4.00
Rot. Bonds2

About 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide

4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide (PubChem CID 107853184) has the molecular formula C16H13BrClNO and a molecular weight of 350.64 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide
PubChem CID107853184
Molecular FormulaC16H13BrClNO
Molecular Weight350.64 g/mol
Exact Mass348.99
IUPAC Name4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide
SMILESO=C(NC1Cc2ccccc2C1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H13BrClNO/c17-14-6-5-12(9-15(14)18)16(20)19-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,19,20)
InChIKeyWBPPYZCNWQWRKM-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide
CID 115703314
4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376
N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide
CID 107854750
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-3-chlorobenzamide
CID 81307342
N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybenzamide
CID 104694730
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
CID 81308175
N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxybenzamide
CID 104694737
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 2823446
N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide (CID 107853184) is 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide is O=C(NC1Cc2ccccc2C1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide?
The InChIKey is WBPPYZCNWQWRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO/c17-14-6-5-12(9-15(14)18)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 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide?
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide has a molecular weight of 350.64 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide is sourced from PubChem (CID 107853184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).