N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide

C15H19BrFNO2 — CID 111537310

IUPACN-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESO=C(CC1(O)CCCC1)NCCc1cc(Br)ccc1F
InChIInChI=1S/C15H19BrFNO2/c16-12-3-4-13(17)11(9-12)5-8-18-14(19)10-15(20)6-1-2-7-15/h3-4,9,20H,1-2,5-8,10H2,(H,18,19)
InChIKeyLDEYHZKOBSJMAX-UHFFFAOYSA-N
MW344.22 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide

N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111537310) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111537310
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC NameN-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESO=C(CC1(O)CCCC1)NCCc1cc(Br)ccc1F
InChIInChI=1S/C15H19BrFNO2/c16-12-3-4-13(17)11(9-12)5-8-18-14(19)10-15(20)6-1-2-7-15/h3-4,9,20H,1-2,5-8,10H2,(H,18,19)
InChIKeyLDEYHZKOBSJMAX-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxycyclohexyl)-N-[2-(3,4,5-trifluorophenyl)ethyl]acetamide
CID 110023964
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119745625
N-[2-(3,5-difluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430826
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide
CID 119745593
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111464495
1-[[2-(5-bromo-2-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243086
ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate
CID 110792453
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60589869
N-(2-aminoethyl)-2-(5-bromo-2-fluorophenyl)acetamide
CID 82648185
1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43529529
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 106827402

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide (CID 111537310) is N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide is O=C(CC1(O)CCCC1)NCCc1cc(Br)ccc1F.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is LDEYHZKOBSJMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c16-12-3-4-13(17)11(9-12)5-8-18-14(19)10-15(20)6-1-2-7-15/h3-4,9,20H,1-2,5-8,10H2,(H,18,19).
What are the key properties of N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide?
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 344.22 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111537310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).