5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide

C15H20BrFN2O — CID 62815067

IUPAC5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide
SMILESNc1cc(C(=O)NC2CCCCCCC2)c(Br)cc1F
InChIInChI=1S/C15H20BrFN2O/c16-12-9-13(17)14(18)8-11(12)15(20)19-10-6-4-2-1-3-5-7-10/h8-10H,1-7,18H2,(H,19,20)
InChIKeyYSRMBGXOGAYCCW-UHFFFAOYSA-N
MW343.24 g/mol
LogP4.01
Rot. Bonds2

About 5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide

5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide (PubChem CID 62815067) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is 5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide
PubChem CID62815067
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide
SMILESNc1cc(C(=O)NC2CCCCCCC2)c(Br)cc1F
InChIInChI=1S/C15H20BrFN2O/c16-12-9-13(17)14(18)8-11(12)15(20)19-10-6-4-2-1-3-5-7-10/h8-10H,1-7,18H2,(H,19,20)
InChIKeyYSRMBGXOGAYCCW-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-cyclopentyl-2,4-difluorobenzamide
CID 61091643
5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide
CID 62816831
5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide
CID 62814400
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide
CID 62814890
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367755
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
4-bromo-N-cyclohexyl-3,5-difluorobenzamide
CID 172646662
2-amino-N-cyclohexyl-3-fluorobenzamide
CID 55099758
5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide
CID 62814715

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide (CID 62815067) is 5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide is Nc1cc(C(=O)NC2CCCCCCC2)c(Br)cc1F.
What is the InChIKey of 5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide?
The InChIKey is YSRMBGXOGAYCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c16-12-9-13(17)14(18)8-11(12)15(20)19-10-6-4-2-1-3-5-7-10/h8-10H,1-7,18H2,(H,19,20).
What are the key properties of 5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide?
5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide has a molecular weight of 343.24 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide is sourced from PubChem (CID 62815067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).