5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide

C15H20BrFN2O — CID 62816831

IUPAC5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide
SMILESCCC1CCCCC1NC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C15H20BrFN2O/c1-2-9-5-3-4-6-14(9)19-15(20)10-7-13(18)12(17)8-11(10)16/h7-9,14H,2-6,18H2,1H3,(H,19,20)
InChIKeyMFYVZLMYWPSEEW-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.87
Rot. Bonds3

About 5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide

5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide (PubChem CID 62816831) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide
PubChem CID62816831
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide
SMILESCCC1CCCCC1NC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C15H20BrFN2O/c1-2-9-5-3-4-6-14(9)19-15(20)10-7-13(18)12(17)8-11(10)16/h7-9,14H,2-6,18H2,1H3,(H,19,20)
InChIKeyMFYVZLMYWPSEEW-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.87
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-N-(2,3-dimethylcyclohexyl)-4-fluorobenzamide
CID 62814890
5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide
CID 62814400
5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 62815067
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide
CID 79714631
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
N-(2-ethylcyclohexyl)-4-fluoro-2-hydroxybenzamide
CID 107015155
N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 115645871
3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
CID 43706938
5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide
CID 62814715
5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
CID 55118098
2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
CID 106366697

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide (CID 62816831) is 5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide is CCC1CCCCC1NC(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide?
The InChIKey is MFYVZLMYWPSEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-2-9-5-3-4-6-14(9)19-15(20)10-7-13(18)12(17)8-11(10)16/h7-9,14H,2-6,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide?
5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide has a molecular weight of 343.24 g/mol, XLogP of 3.87, 3 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-ethylcyclohexyl)-4-fluorobenzamide is sourced from PubChem (CID 62816831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).