5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide

C15H20BrFN2O — CID 62814890

IUPAC5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide
SMILESCC1CCCC(NC(=O)c2cc(N)c(F)cc2Br)C1C
InChIInChI=1S/C15H20BrFN2O/c1-8-4-3-5-14(9(8)2)19-15(20)10-6-13(18)12(17)7-11(10)16/h6-9,14H,3-5,18H2,1-2H3,(H,19,20)
InChIKeySEABINKMUDYBDT-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.72
Rot. Bonds2

About 5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide

5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide (PubChem CID 62814890) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide
PubChem CID62814890
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide
SMILESCC1CCCC(NC(=O)c2cc(N)c(F)cc2Br)C1C
InChIInChI=1S/C15H20BrFN2O/c1-8-4-3-5-14(9(8)2)19-15(20)10-6-13(18)12(17)7-11(10)16/h6-9,14H,3-5,18H2,1-2H3,(H,19,20)
InChIKeySEABINKMUDYBDT-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
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-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide
CID 62814400
5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide
CID 62816831
5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 62815067
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682
N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide
CID 80718134
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide
CID 124811505
5-amino-2-bromo-4-fluoro-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 62815082
N-(2,3-dimethylcyclohexyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387958
2-amino-5-hydroxy-N-(2-methylcyclopentyl)benzamide
CID 107075272
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide (CID 62814890) is 5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide is CC1CCCC(NC(=O)c2cc(N)c(F)cc2Br)C1C.
What is the InChIKey of 5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide?
The InChIKey is SEABINKMUDYBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-8-4-3-5-14(9(8)2)19-15(20)10-6-13(18)12(17)7-11(10)16/h6-9,14H,3-5,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide?
5-amino-2-bromo-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide has a molecular weight of 343.24 g/mol, XLogP of 3.72, 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-(2,3-dimethylcyclohexyl)-4-fluorobenzamide is sourced from PubChem (CID 62814890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).