N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide

C15H18BrClFNO — CID 114317207

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1CCCC1CBr
InChIInChI=1S/C15H18BrClFNO/c16-8-10-3-1-4-11(10)9-19-15(20)7-12-13(17)5-2-6-14(12)18/h2,5-6,10-11H,1,3-4,7-9H2,(H,19,20)
InChIKeyCXNNFHYLPLIJHU-UHFFFAOYSA-N
MW362.67 g/mol
LogP3.95
Rot. Bonds5

About N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide

N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 114317207) has the molecular formula C15H18BrClFNO and a molecular weight of 362.67 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID114317207
Molecular FormulaC15H18BrClFNO
Molecular Weight362.67 g/mol
Exact Mass361.02
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1CCCC1CBr
InChIInChI=1S/C15H18BrClFNO/c16-8-10-3-1-4-11(10)9-19-15(20)7-12-13(17)5-2-6-14(12)18/h2,5-6,10-11H,1,3-4,7-9H2,(H,19,20)
InChIKeyCXNNFHYLPLIJHU-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.67
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide
CID 114307086
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
CID 114317426
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114317365
N-[(3-chlorocyclopentyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 106126488
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
CID 114317422
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide
CID 106367286
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide
CID 114317384
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
CID 99873881
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-methylbenzamide
CID 107100189

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 114317207) is N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide is O=C(Cc1c(F)cccc1Cl)NCC1CCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is CXNNFHYLPLIJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClFNO/c16-8-10-3-1-4-11(10)9-19-15(20)7-12-13(17)5-2-6-14(12)18/h2,5-6,10-11H,1,3-4,7-9H2,(H,19,20).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 362.67 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 114317207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).