5-bromo-N-(3-hydroxycyclobutyl)pentanamide

C9H16BrNO2 — CID 107910240

IUPAC5-bromo-N-(3-hydroxycyclobutyl)pentanamide
SMILESO=C(CCCCBr)NC1CC(O)C1
InChIInChI=1S/C9H16BrNO2/c10-4-2-1-3-9(13)11-7-5-8(12)6-7/h7-8,12H,1-6H2,(H,11,13)
InChIKeyGGWMMBJXONZNNS-UHFFFAOYSA-N
MW250.14 g/mol
LogP1.19
Rot. Bonds5

About 5-bromo-N-(3-hydroxycyclobutyl)pentanamide

5-bromo-N-(3-hydroxycyclobutyl)pentanamide (PubChem CID 107910240) has the molecular formula C9H16BrNO2 and a molecular weight of 250.14 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxycyclobutyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxycyclobutyl)pentanamide
PubChem CID107910240
Molecular FormulaC9H16BrNO2
Molecular Weight250.14 g/mol
Exact Mass249.04
IUPAC Name5-bromo-N-(3-hydroxycyclobutyl)pentanamide
SMILESO=C(CCCCBr)NC1CC(O)C1
InChIInChI=1S/C9H16BrNO2/c10-4-2-1-3-9(13)11-7-5-8(12)6-7/h7-8,12H,1-6H2,(H,11,13)
InChIKeyGGWMMBJXONZNNS-UHFFFAOYSA-N
XLogP1.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(3-hydroxycyclobutyl)pentanamide 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

5-bromo-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)pentanamide
CID 165458218
N-(4-aminocyclohexyl)-5-bromopentanamide
CID 107909975
4-(5-bromopentanoylamino)cyclohexane-1-carboxamide
CID 107908592
5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 114014776
N,N'-dicyclopropyldecanediamide
CID 4668836
6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid
CID 54867773
3-(5-bromopentanoylamino)-4-methylpiperidine-1-carboxylic acid
CID 67971998
5-bromo-N-methylpentanamide
CID 19971018
32-bromo-N-hydroxydotriacontanamide
CID 87685342
20-bromo-N-hydroxyicosanamide
CID 87683991
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
5-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 107910801

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxycyclobutyl)pentanamide?
The IUPAC name of 5-bromo-N-(3-hydroxycyclobutyl)pentanamide (CID 107910240) is 5-bromo-N-(3-hydroxycyclobutyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxycyclobutyl)pentanamide?
The canonical SMILES for 5-bromo-N-(3-hydroxycyclobutyl)pentanamide is O=C(CCCCBr)NC1CC(O)C1.
What is the InChIKey of 5-bromo-N-(3-hydroxycyclobutyl)pentanamide?
The InChIKey is GGWMMBJXONZNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO2/c10-4-2-1-3-9(13)11-7-5-8(12)6-7/h7-8,12H,1-6H2,(H,11,13).
What are the key properties of 5-bromo-N-(3-hydroxycyclobutyl)pentanamide?
5-bromo-N-(3-hydroxycyclobutyl)pentanamide has a molecular weight of 250.14 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxycyclobutyl)pentanamide is sourced from PubChem (CID 107910240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).