N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide

C13H15BrFNO2 — CID 102883574

IUPACN-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCC2Br)c(F)c1
InChIInChI=1S/C13H15BrFNO2/c1-18-8-5-6-9(11(15)7-8)13(17)16-12-4-2-3-10(12)14/h5-7,10,12H,2-4H2,1H3,(H,16,17)
InChIKeyKTYLKIWQDFGQTA-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.88
Rot. Bonds3

About N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide

N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide (PubChem CID 102883574) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide
PubChem CID102883574
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC NameN-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCC2Br)c(F)c1
InChIInChI=1S/C13H15BrFNO2/c1-18-8-5-6-9(11(15)7-8)13(17)16-12-4-2-3-10(12)14/h5-7,10,12H,2-4H2,1H3,(H,16,17)
InChIKeyKTYLKIWQDFGQTA-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-hydroxycyclohexyl)-4-methoxybenzamide
CID 103816699
2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790786
N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide
CID 102883992
N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 114312002
cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide
CID 97063399
N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102885227
N-(2-aminocyclopropyl)-2-fluoro-4-methoxybenzamide
CID 103804989
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide
CID 80661734
2-fluoro-4-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767118
2-fluoro-4-methoxy-N-(2-propylcyclopropyl)benzamide
CID 103713574
2-fluoro-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 103603318

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide (CID 102883574) is N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC2CCCC2Br)c(F)c1.
What is the InChIKey of N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is KTYLKIWQDFGQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-18-8-5-6-9(11(15)7-8)13(17)16-12-4-2-3-10(12)14/h5-7,10,12H,2-4H2,1H3,(H,16,17).
What are the key properties of N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide?
N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide has a molecular weight of 316.17 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 102883574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).