2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide

C16H14BrNO — CID 2673412

IUPAC2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccccc1Br
InChIInChI=1S/C16H14BrNO/c17-15-7-2-1-6-14(15)16(19)18-13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10H,3-5H2,(H,18,19)
InChIKeyDSQXFDPDIGRXFE-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.19
Rot. Bonds2

About 2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide

2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide (PubChem CID 2673412) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
PubChem CID2673412
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccccc1Br
InChIInChI=1S/C16H14BrNO/c17-15-7-2-1-6-14(15)16(19)18-13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10H,3-5H2,(H,18,19)
InChIKeyDSQXFDPDIGRXFE-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 114369877
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27555740
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7658004
2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8927653
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-bromobenzamide
CID 16930774
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
N-(2,3-dihydro-1H-inden-5-yl)-2,3-dimethoxybenzamide
CID 26198866
5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
CID 62000422
N-(2,3-dihydro-1H-inden-5-yl)-2-phenoxypyridine-3-carboxamide
CID 24514604
2-bromo-N-(3-methylphenyl)benzamide
CID 532187

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
The IUPAC name of 2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide (CID 2673412) is 2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide is O=C(Nc1ccc2c(c1)CCC2)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
The InChIKey is DSQXFDPDIGRXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c17-15-7-2-1-6-14(15)16(19)18-13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10H,3-5H2,(H,18,19).
What are the key properties of 2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide has a molecular weight of 316.20 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide is sourced from PubChem (CID 2673412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).