N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide

C14H18BrNO — CID 114307300

IUPACN-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1cccc(CBr)c1
InChIInChI=1S/C14H18BrNO/c15-10-12-6-3-7-13(8-12)16-14(17)9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10H2,(H,16,17)
InChIKeyGPIOENSLRKBEQA-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.10
Rot. Bonds4

About N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide

N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide (PubChem CID 114307300) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
PubChem CID114307300
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1cccc(CBr)c1
InChIInChI=1S/C14H18BrNO/c15-10-12-6-3-7-13(8-12)16-14(17)9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10H2,(H,16,17)
InChIKeyGPIOENSLRKBEQA-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
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-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910808
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451
2-cyclopentyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 60580220
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
2-cyclohexyl-N-(3-phenylphenyl)acetamide
CID 53348155
2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide
CID 108924164
N-[3-[(2-cyclopentylacetyl)amino]phenyl]benzamide
CID 54786112
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
2-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006
N-[3-(chloromethyl)phenyl]-2-(thian-4-yl)acetamide
CID 83138099
2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 78811101
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide
CID 106910721

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide (CID 114307300) is N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide is O=C(CC1CCCC1)Nc1cccc(CBr)c1.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide?
The InChIKey is GPIOENSLRKBEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c15-10-12-6-3-7-13(8-12)16-14(17)9-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5,9-10H2,(H,16,17).
What are the key properties of N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide?
N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide has a molecular weight of 296.21 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide is sourced from PubChem (CID 114307300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).