2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

C16H14Br2N2O — CID 114374394

IUPAC2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)c1cc(Br)ccc1Br
InChIInChI=1S/C16H14Br2N2O/c17-12-2-4-15(18)14(8-12)16(21)20-13-3-1-10-5-6-19-9-11(10)7-13/h1-4,7-8,19H,5-6,9H2,(H,20,21)
InChIKeyWAWZQPRNYSKQQL-UHFFFAOYSA-N
MW410.11 g/mol
LogP4.11
Rot. Bonds2

About 2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (PubChem CID 114374394) has the molecular formula C16H14Br2N2O and a molecular weight of 410.11 g/mol. Its IUPAC name is 2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
PubChem CID114374394
Molecular FormulaC16H14Br2N2O
Molecular Weight410.11 g/mol
Exact Mass407.95
IUPAC Name2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)c1cc(Br)ccc1Br
InChIInChI=1S/C16H14Br2N2O/c17-12-2-4-15(18)14(8-12)16(21)20-13-3-1-10-5-6-19-9-11(10)7-13/h1-4,7-8,19H,5-6,9H2,(H,20,21)
InChIKeyWAWZQPRNYSKQQL-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 114369877
2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901524
2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107983127
2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901931
2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901319
2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
CID 119581059
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 119581069
5-bromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 75469390
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
CID 63901115

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The IUPAC name of 2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (CID 114374394) is 2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is O=C(Nc1ccc2c(c1)CNCC2)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The InChIKey is WAWZQPRNYSKQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O/c17-12-2-4-15(18)14(8-12)16(21)20-13-3-1-10-5-6-19-9-11(10)7-13/h1-4,7-8,19H,5-6,9H2,(H,20,21).
What are the key properties of 2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide has a molecular weight of 410.11 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is sourced from PubChem (CID 114374394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).