2-bromo-N-quinolin-2-ylbenzamide

C16H11BrN2O — CID 678249

IUPAC2-bromo-N-quinolin-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2n1)c1ccccc1Br
InChIInChI=1S/C16H11BrN2O/c17-13-7-3-2-6-12(13)16(20)19-15-10-9-11-5-1-4-8-14(11)18-15/h1-10H,(H,18,19,20)
InChIKeyKGTIOTDVIMOMGV-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.25
Rot. Bonds2

About 2-bromo-N-quinolin-2-ylbenzamide

2-bromo-N-quinolin-2-ylbenzamide (PubChem CID 678249) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-bromo-N-quinolin-2-ylbenzamide.

Molecular Properties

Compound Name2-bromo-N-quinolin-2-ylbenzamide
PubChem CID678249
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name2-bromo-N-quinolin-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2n1)c1ccccc1Br
InChIInChI=1S/C16H11BrN2O/c17-13-7-3-2-6-12(13)16(20)19-15-10-9-11-5-1-4-8-14(11)18-15/h1-10H,(H,18,19,20)
InChIKeyKGTIOTDVIMOMGV-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(6-methylpyridin-2-yl)benzamide
CID 603306
2-Aminoquinazoline-4-carboxy-(4-bromophenyl)amide
CID 24749595
N-(2-quinolinyl)benzamide
CID 2812454
4-methyl-N-quinolin-2-ylbenzamide
CID 2812455
4-chloro-N-quinolin-2-ylbenzamide
CID 2812964
2-chloro-N-quinolin-2-ylbenzamide
CID 2812968
N-(2-quinolinyl)cyclohexanecarboxamide
CID 2812969
4-bromo-N-(6-methylpyridin-2-yl)benzamide
CID 720143
Cambridge id 6030410
CID 761228
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
CID 15987804
3-phenyl-N-2-quinolinylpropanamide
CID 878880
3-Bromo-N-[4-(4-dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-benzamide
CID 44390706

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-quinolin-2-ylbenzamide?
The IUPAC name of 2-bromo-N-quinolin-2-ylbenzamide (CID 678249) is 2-bromo-N-quinolin-2-ylbenzamide.
What is the SMILES notation for 2-bromo-N-quinolin-2-ylbenzamide?
The canonical SMILES for 2-bromo-N-quinolin-2-ylbenzamide is O=C(Nc1ccc2ccccc2n1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-quinolin-2-ylbenzamide?
The InChIKey is KGTIOTDVIMOMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-13-7-3-2-6-12(13)16(20)19-15-10-9-11-5-1-4-8-14(11)18-15/h1-10H,(H,18,19,20).
What are the key properties of 2-bromo-N-quinolin-2-ylbenzamide?
2-bromo-N-quinolin-2-ylbenzamide has a molecular weight of 327.18 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-quinolin-2-ylbenzamide is sourced from PubChem (CID 678249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).