N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide

C14H17BrClNO — CID 113275396

IUPACN-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NCC1CCCC1Br
InChIInChI=1S/C14H17BrClNO/c15-12-6-3-5-11(12)9-17-14(18)8-10-4-1-2-7-13(10)16/h1-2,4,7,11-12H,3,5-6,8-9H2,(H,17,18)
InChIKeyYDLFDVWSMPMPSQ-UHFFFAOYSA-N
MW330.65 g/mol
LogP3.56
Rot. Bonds4

About N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide

N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide (PubChem CID 113275396) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide
PubChem CID113275396
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC NameN-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NCC1CCCC1Br
InChIInChI=1S/C14H17BrClNO/c15-12-6-3-5-11(12)9-17-14(18)8-10-4-1-2-7-13(10)16/h1-2,4,7,11-12H,3,5-6,8-9H2,(H,17,18)
InChIKeyYDLFDVWSMPMPSQ-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114317365
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-bromocyclopentyl)-2-(2-chlorophenyl)acetamide
CID 80662926
N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313972
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106894271
N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide
CID 114313867
N-[(2-bromocyclopentyl)methyl]-3-chloro-4-iodobenzamide
CID 103212533
N-[(2-chlorocyclopentyl)methyl]-2-naphthalen-1-ylacetamide
CID 114303161
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040
1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene
CID 107309484

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide (CID 113275396) is N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide is O=C(Cc1ccccc1Cl)NCC1CCCC1Br.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is YDLFDVWSMPMPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c15-12-6-3-5-11(12)9-17-14(18)8-10-4-1-2-7-13(10)16/h1-2,4,7,11-12H,3,5-6,8-9H2,(H,17,18).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide?
N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 330.65 g/mol, XLogP of 3.56, 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-chlorophenyl)acetamide is sourced from PubChem (CID 113275396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).