N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide

C14H16BrF2NO — CID 114313972

IUPACN-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1F)NCC1CCCC1Br
InChIInChI=1S/C14H16BrF2NO/c15-11-5-1-4-10(11)8-18-13(19)7-9-3-2-6-12(16)14(9)17/h2-3,6,10-11H,1,4-5,7-8H2,(H,18,19)
InChIKeyLRVFIKYUWBWTSX-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.19
Rot. Bonds4

About N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide

N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide (PubChem CID 114313972) has the molecular formula C14H16BrF2NO and a molecular weight of 332.19 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
PubChem CID114313972
Molecular FormulaC14H16BrF2NO
Molecular Weight332.19 g/mol
Exact Mass331.04
IUPAC NameN-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1F)NCC1CCCC1Br
InChIInChI=1S/C14H16BrF2NO/c15-11-5-1-4-10(11)8-18-13(19)7-9-3-2-6-12(16)14(9)17/h2-3,6,10-11H,1,4-5,7-8H2,(H,18,19)
InChIKeyLRVFIKYUWBWTSX-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.19
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

N-[(2-chlorocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
CID 114303281
N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide
CID 113275396
N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 113275096
N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide
CID 114313710
N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide
CID 113275097
N-[(2-bromocyclohexyl)methyl]-2-chloro-3-fluorobenzamide
CID 114312152
2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide
CID 114955654
N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
CID 119604124
N-[[3-(bromomethyl)phenyl]methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313198
4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
CID 113275433
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114317207
2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115687726

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide (CID 114313972) is N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide is O=C(Cc1cccc(F)c1F)NCC1CCCC1Br.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide?
The InChIKey is LRVFIKYUWBWTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2NO/c15-11-5-1-4-10(11)8-18-13(19)7-9-3-2-6-12(16)14(9)17/h2-3,6,10-11H,1,4-5,7-8H2,(H,18,19).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide?
N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide has a molecular weight of 332.19 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 114313972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).