5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide

C16H16BrClN2O2 — CID 54787912

IUPAC5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C16H16BrClN2O2/c1-2-3-8-22-14-6-4-11(17)9-13(14)16(21)20-12-5-7-15(18)19-10-12/h4-7,9-10H,2-3,8H2,1H3,(H,20,21)
InChIKeyBNSIYQBANABWCO-UHFFFAOYSA-N
MW383.67 g/mol
LogP4.93
Rot. Bonds6

About 5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide

5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide (PubChem CID 54787912) has the molecular formula C16H16BrClN2O2 and a molecular weight of 383.67 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide
PubChem CID54787912
Molecular FormulaC16H16BrClN2O2
Molecular Weight383.67 g/mol
Exact Mass382.01
IUPAC Name5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C16H16BrClN2O2/c1-2-3-8-22-14-6-4-11(17)9-13(14)16(21)20-12-5-7-15(18)19-10-12/h4-7,9-10H,2-3,8H2,1H3,(H,20,21)
InChIKeyBNSIYQBANABWCO-UHFFFAOYSA-N
XLogP4.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.67
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
CID 17189847
5-bromo-2-butoxy-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17235078
5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 17350006
5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 78929857
5-bromo-2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642686
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
CID 17351391
4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
CID 54787952
5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide
CID 17350650
N-(3-acetamidophenyl)-5-bromo-2-hexoxybenzamide
CID 17189846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide?
The IUPAC name of 5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide (CID 54787912) is 5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide.
What is the SMILES notation for 5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide?
The canonical SMILES for 5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide is CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of 5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide?
The InChIKey is BNSIYQBANABWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O2/c1-2-3-8-22-14-6-4-11(17)9-13(14)16(21)20-12-5-7-15(18)19-10-12/h4-7,9-10H,2-3,8H2,1H3,(H,20,21).
What are the key properties of 5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide?
5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide has a molecular weight of 383.67 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N-(6-chloro-3-pyridinyl)benzamide is sourced from PubChem (CID 54787912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).