2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide

C15H19BrFNO — CID 64922806

IUPAC2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide
SMILESCCC1CCC(NC(=O)c2ccc(F)cc2Br)C1C
InChIInChI=1S/C15H19BrFNO/c1-3-10-4-7-14(9(10)2)18-15(19)12-6-5-11(17)8-13(12)16/h5-6,8-10,14H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyYRMFEOMIIXPQPI-UHFFFAOYSA-N
MW328.23 g/mol
LogP4.14
Rot. Bonds3

About 2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide

2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide (PubChem CID 64922806) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is 2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide
PubChem CID64922806
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide
SMILESCCC1CCC(NC(=O)c2ccc(F)cc2Br)C1C
InChIInChI=1S/C15H19BrFNO/c1-3-10-4-7-14(9(10)2)18-15(19)12-6-5-11(17)8-13(12)16/h5-6,8-10,14H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyYRMFEOMIIXPQPI-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 64921700
2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
CID 106444049
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide
CID 64741558
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829272
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinyl-5-methylbenzamide
CID 64914858
N-(2-ethylcyclohexyl)-4-fluoro-2-hydroxybenzamide
CID 107015155
3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide
CID 64923164
2-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80602019
2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 115540774
2-amino-N-(3-ethyl-2-methylcyclopentyl)pyridine-3-carboxamide
CID 64915258

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide (CID 64922806) is 2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide is CCC1CCC(NC(=O)c2ccc(F)cc2Br)C1C.
What is the InChIKey of 2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide?
The InChIKey is YRMFEOMIIXPQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-3-10-4-7-14(9(10)2)18-15(19)12-6-5-11(17)8-13(12)16/h5-6,8-10,14H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide?
2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide has a molecular weight of 328.23 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-fluorobenzamide is sourced from PubChem (CID 64922806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).