2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide

C16H10BrClN2O — CID 103747527

IUPAC2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2ccncc12)c1cc(Cl)ccc1Br
InChIInChI=1S/C16H10BrClN2O/c17-14-5-4-11(18)8-12(14)16(21)20-15-3-1-2-10-6-7-19-9-13(10)15/h1-9H,(H,20,21)
InChIKeyHNWVXSFJNUKEFZ-UHFFFAOYSA-N
MW361.63 g/mol
LogP4.90
Rot. Bonds2

About 2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide

2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide (PubChem CID 103747527) has the molecular formula C16H10BrClN2O and a molecular weight of 361.63 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide
PubChem CID103747527
Molecular FormulaC16H10BrClN2O
Molecular Weight361.63 g/mol
Exact Mass359.97
IUPAC Name2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2ccncc12)c1cc(Cl)ccc1Br
InChIInChI=1S/C16H10BrClN2O/c17-14-5-4-11(18)8-12(14)16(21)20-15-3-1-2-10-6-7-19-9-13(10)15/h1-9H,(H,20,21)
InChIKeyHNWVXSFJNUKEFZ-UHFFFAOYSA-N
XLogP4.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.63
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
CID 103871194
2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 113235199
N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81263935
(2-bromo-4-chlorophenyl)-isoquinolin-8-ylmethanone
CID 107996871
2,5-dichloro-N-naphthalen-1-ylbenzamide
CID 2166526
4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide
CID 103747532
2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid
CID 103803917
isoquinolin-8-ylurea
CID 67363282
2,2,2-trichloro-N-isoquinolin-8-ylacetamide
CID 22032621
3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369823
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 81024129
4-chloro-2-isoquinolin-8-ylbenzoic acid
CID 107989947

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide?
The IUPAC name of 2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide (CID 103747527) is 2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide?
The canonical SMILES for 2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide is O=C(Nc1cccc2ccncc12)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide?
The InChIKey is HNWVXSFJNUKEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN2O/c17-14-5-4-11(18)8-12(14)16(21)20-15-3-1-2-10-6-7-19-9-13(10)15/h1-9H,(H,20,21).
What are the key properties of 2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide?
2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide has a molecular weight of 361.63 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide is sourced from PubChem (CID 103747527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).