2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide

C15H21BrFNO3 — CID 103725719

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C15H21BrFNO3/c1-2-3-11(6-7-19)9-18-15(20)10-21-14-5-4-12(17)8-13(14)16/h4-5,8,11,19H,2-3,6-7,9-10H2,1H3,(H,18,20)
InChIKeyPRXGBINTXPDSHL-UHFFFAOYSA-N
MW362.24 g/mol
LogP2.88
Rot. Bonds9

About 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide

2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide (PubChem CID 103725719) has the molecular formula C15H21BrFNO3 and a molecular weight of 362.24 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
PubChem CID103725719
Molecular FormulaC15H21BrFNO3
Molecular Weight362.24 g/mol
Exact Mass361.07
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C15H21BrFNO3/c1-2-3-11(6-7-19)9-18-15(20)10-21-14-5-4-12(17)8-13(14)16/h4-5,8,11,19H,2-3,6-7,9-10H2,1H3,(H,18,20)
InChIKeyPRXGBINTXPDSHL-UHFFFAOYSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107562867
2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725510
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751339
(2S)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-propylpropanamide
CID 8733702
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 34650983
ethyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 61344943
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide
CID 42890728
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807867
2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725683

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide (CID 103725719) is 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide is CCCC(CCO)CNC(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The InChIKey is PRXGBINTXPDSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO3/c1-2-3-11(6-7-19)9-18-15(20)10-21-14-5-4-12(17)8-13(14)16/h4-5,8,11,19H,2-3,6-7,9-10H2,1H3,(H,18,20).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide has a molecular weight of 362.24 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide is sourced from PubChem (CID 103725719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).