2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide

C15H21BrN2O2 — CID 62908195

IUPAC2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide
SMILESCC(O)c1ccc(N(CC(N)=O)C2CCCC2)c(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-10(19)11-6-7-14(13(16)8-11)18(9-15(17)20)12-4-2-3-5-12/h6-8,10,12,19H,2-5,9H2,1H3,(H2,17,20)
InChIKeyFLMCAKDMYOJJET-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.74
Rot. Bonds5

About 2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide

2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide (PubChem CID 62908195) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide
PubChem CID62908195
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide
SMILESCC(O)c1ccc(N(CC(N)=O)C2CCCC2)c(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-10(19)11-6-7-14(13(16)8-11)18(9-15(17)20)12-4-2-3-5-12/h6-8,10,12,19H,2-5,9H2,1H3,(H2,17,20)
InChIKeyFLMCAKDMYOJJET-UHFFFAOYSA-N
XLogP2.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370691
3-[2-bromo-N-cyclobutyl-4-[(1S)-1-hydroxyethyl]anilino]propan-1-ol
CID 102864100
4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline
CID 78944318
2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide
CID 104778295
1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
CID 62909901
1-[3-bromo-4-[cyclobutylmethyl(methyl)amino]phenyl]ethanol
CID 62912014
3-[2-bromo-N-cyclopropyl-4-[(1S)-1-hydroxyethyl]anilino]propanenitrile
CID 78940580
(1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63540480
(1S)-1-[3-bromo-4-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940254
2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 55132276
1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43541379
(1S)-1-[3-bromo-4-(diethylamino)phenyl]ethanol
CID 78939147

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide?
The IUPAC name of 2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide (CID 62908195) is 2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide.
What is the SMILES notation for 2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide?
The canonical SMILES for 2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide is CC(O)c1ccc(N(CC(N)=O)C2CCCC2)c(Br)c1.
What is the InChIKey of 2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide?
The InChIKey is FLMCAKDMYOJJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(19)11-6-7-14(13(16)8-11)18(9-15(17)20)12-4-2-3-5-12/h6-8,10,12,19H,2-5,9H2,1H3,(H2,17,20).
What are the key properties of 2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide?
2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide has a molecular weight of 341.25 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide is sourced from PubChem (CID 62908195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).