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

C16H13Br2NO — CID 114369877

IUPAC2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cc(Br)ccc1Br
InChIInChI=1S/C16H13Br2NO/c17-12-5-7-15(18)14(9-12)16(20)19-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,19,20)
InChIKeyHBWSYODLSQQIEZ-UHFFFAOYSA-N
MW395.09 g/mol
LogP4.95
Rot. Bonds2

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

2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide (PubChem CID 114369877) has the molecular formula C16H13Br2NO and a molecular weight of 395.09 g/mol. Its IUPAC name is 2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
PubChem CID114369877
Molecular FormulaC16H13Br2NO
Molecular Weight395.09 g/mol
Exact Mass392.94
IUPAC Name2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cc(Br)ccc1Br
InChIInChI=1S/C16H13Br2NO/c17-12-5-7-15(18)14(9-12)16(20)19-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,19,20)
InChIKeyHBWSYODLSQQIEZ-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.09
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 2673412
2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 114374394
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
CID 62000422
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid
CID 107793046
4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7-yl)benzamide
CID 117071799
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
2,5-dibromo-N-(3-fluoro-4-methylphenyl)benzamide
CID 114369991
2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
CID 114371284

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide (CID 114369877) is 2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide is O=C(Nc1ccc2c(c1)CCC2)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
The InChIKey is HBWSYODLSQQIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2NO/c17-12-5-7-15(18)14(9-12)16(20)19-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,19,20).
What are the key properties of 2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide has a molecular weight of 395.09 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide is sourced from PubChem (CID 114369877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).