N-(2-bromocyclopentyl)-4-phenylbutanamide

C15H20BrNO — CID 80663026

IUPACN-(2-bromocyclopentyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC1CCCC1Br
InChIInChI=1S/C15H20BrNO/c16-13-9-5-10-14(13)17-15(18)11-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)
InChIKeyFPOUEHKQCGAWHB-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.44
Rot. Bonds5

About N-(2-bromocyclopentyl)-4-phenylbutanamide

N-(2-bromocyclopentyl)-4-phenylbutanamide (PubChem CID 80663026) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-4-phenylbutanamide
PubChem CID80663026
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-(2-bromocyclopentyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC1CCCC1Br
InChIInChI=1S/C15H20BrNO/c16-13-9-5-10-14(13)17-15(18)11-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)
InChIKeyFPOUEHKQCGAWHB-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.44
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-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide
CID 96541296
N-(2-bromocyclopentyl)-2-(2-chlorophenyl)acetamide
CID 80662926
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62961970
N-(azepan-4-yl)-4-phenylbutanamide
CID 105059135
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide
CID 75482244
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
N-(2-tert-butylcyclohexyl)-3-phenylpropanamide
CID 17147377
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide
CID 76978572
N-(2-bromocyclohexyl)heptanamide
CID 114754026

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-4-phenylbutanamide?
The IUPAC name of N-(2-bromocyclopentyl)-4-phenylbutanamide (CID 80663026) is N-(2-bromocyclopentyl)-4-phenylbutanamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-4-phenylbutanamide?
The canonical SMILES for N-(2-bromocyclopentyl)-4-phenylbutanamide is O=C(CCCc1ccccc1)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-4-phenylbutanamide?
The InChIKey is FPOUEHKQCGAWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-13-9-5-10-14(13)17-15(18)11-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18).
What are the key properties of N-(2-bromocyclopentyl)-4-phenylbutanamide?
N-(2-bromocyclopentyl)-4-phenylbutanamide has a molecular weight of 310.23 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-4-phenylbutanamide is sourced from PubChem (CID 80663026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).