4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide

C14H17BrFNO — CID 64920634

IUPAC4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide
SMILESCC1CCC(NC(=O)c2ccc(Br)c(F)c2)C1C
InChIInChI=1S/C14H17BrFNO/c1-8-3-6-13(9(8)2)17-14(18)10-4-5-11(15)12(16)7-10/h4-5,7-9,13H,3,6H2,1-2H3,(H,17,18)
InChIKeyLZDKVKWBJZVONO-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.75
Rot. Bonds2

About 4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide

4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide (PubChem CID 64920634) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide
PubChem CID64920634
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide
SMILESCC1CCC(NC(=O)c2ccc(Br)c(F)c2)C1C
InChIInChI=1S/C14H17BrFNO/c1-8-3-6-13(9(8)2)17-14(18)10-4-5-11(15)12(16)7-10/h4-5,7-9,13H,3,6H2,1-2H3,(H,17,18)
InChIKeyLZDKVKWBJZVONO-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
CID 63997773
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386400
4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide
CID 96519279
3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide
CID 114020017
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid
CID 79178105
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide
CID 80536433

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide (CID 64920634) is 4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide is CC1CCC(NC(=O)c2ccc(Br)c(F)c2)C1C.
What is the InChIKey of 4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide?
The InChIKey is LZDKVKWBJZVONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-8-3-6-13(9(8)2)17-14(18)10-4-5-11(15)12(16)7-10/h4-5,7-9,13H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide?
4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide has a molecular weight of 314.20 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dimethylcyclopentyl)-3-fluorobenzamide is sourced from PubChem (CID 64920634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).