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

C17H15BrClNO — CID 81295054

IUPAC4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)c(Cl)c1)C1CCc2ccccc21
InChIInChI=1S/C17H15BrClNO/c1-20(16-9-7-11-4-2-3-5-13(11)16)17(21)12-6-8-14(18)15(19)10-12/h2-6,8,10,16H,7,9H2,1H3
InChIKeyXSNVAOLVLWNUKN-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.86
Rot. Bonds2

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

4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide (PubChem CID 81295054) has the molecular formula C17H15BrClNO and a molecular weight of 364.67 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
PubChem CID81295054
Molecular FormulaC17H15BrClNO
Molecular Weight364.67 g/mol
Exact Mass363.00
IUPAC Name4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)c(Cl)c1)C1CCc2ccccc21
InChIInChI=1S/C17H15BrClNO/c1-20(16-9-7-11-4-2-3-5-13(11)16)17(21)12-6-8-14(18)15(19)10-12/h2-6,8,10,16H,7,9H2,1H3
InChIKeyXSNVAOLVLWNUKN-UHFFFAOYSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
5-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-3-carboxamide
CID 47159920
3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43578962
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide
CID 25493349
3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide
CID 55539623
4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81296264
2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103754184
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-carboxamide
CID 43049148
3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505204
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide
CID 134053339
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51128284

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide?
The IUPAC name of 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide (CID 81295054) is 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide is CN(C(=O)c1ccc(Br)c(Cl)c1)C1CCc2ccccc21.
What is the InChIKey of 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide?
The InChIKey is XSNVAOLVLWNUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO/c1-20(16-9-7-11-4-2-3-5-13(11)16)17(21)12-6-8-14(18)15(19)10-12/h2-6,8,10,16H,7,9H2,1H3.
What are the key properties of 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide?
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide has a molecular weight of 364.67 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 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-1-yl)-N-methylbenzamide is sourced from PubChem (CID 81295054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).