N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide

C14H18BrNO — CID 114313710

IUPACN-[(2-bromocyclopentyl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CCCC1Br
InChIInChI=1S/C14H18BrNO/c15-13-8-4-7-12(13)10-16-14(17)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)
InChIKeyYKIOHKYASHRJAF-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide

N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide (PubChem CID 114313710) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-2-phenylacetamide
PubChem CID114313710
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-[(2-bromocyclopentyl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CCCC1Br
InChIInChI=1S/C14H18BrNO/c15-13-8-4-7-12(13)10-16-14(17)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)
InChIKeyYKIOHKYASHRJAF-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.91
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

4-Phenyl-2-pyrrolidinone
CID 121397
N-Cyclohexyl-2-phenylacetamide
CID 82500
(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
CID 155618148
N-(pentan-2-yl)-2-phenylacetamide
CID 2886843
N-phenethyl-2-phenylacetamide
CID 138516
2-cyclohexyl-N-phenethyl-acetamide
CID 1121089
4-phenyl-N-(2-phenylethyl)butanamide
CID 836348
N-(3-phenylpropyl)cyclohexanecarboxamide
CID 2163843
CID 162516977
CID 162516977
N-pentyl-3-phenylpropanamide
CID 1744191
N-(2-methylpropyl)-2-phenylacetamide
CID 668859
Acetamide, N-(2-(dimethylamino)ethyl)-2-phenyl-
CID 44430

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide (CID 114313710) is N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC1CCCC1Br.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide?
The InChIKey is YKIOHKYASHRJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c15-13-8-4-7-12(13)10-16-14(17)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide?
N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide has a molecular weight of 296.21 g/mol, XLogP of 2.91, 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-phenylacetamide is sourced from PubChem (CID 114313710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).