2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide

C12H15BrFNO4 — CID 60653739

IUPAC2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(COc1ccc(F)cc1Br)N(CCO)CCO
InChIInChI=1S/C12H15BrFNO4/c13-10-7-9(14)1-2-11(10)19-8-12(18)15(3-5-16)4-6-17/h1-2,7,16-17H,3-6,8H2
InChIKeyNDJYTBUNLDDNHH-UHFFFAOYSA-N
MW336.16 g/mol
LogP0.78
Rot. Bonds7

About 2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide

2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide (PubChem CID 60653739) has the molecular formula C12H15BrFNO4 and a molecular weight of 336.16 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
PubChem CID60653739
Molecular FormulaC12H15BrFNO4
Molecular Weight336.16 g/mol
Exact Mass335.02
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(COc1ccc(F)cc1Br)N(CCO)CCO
InChIInChI=1S/C12H15BrFNO4/c13-10-7-9(14)1-2-11(10)19-8-12(18)15(3-5-16)4-6-17/h1-2,7,16-17H,3-6,8H2
InChIKeyNDJYTBUNLDDNHH-UHFFFAOYSA-N
XLogP0.78
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60655130
2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide
CID 78765407
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60682396
2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902198
2-(2-bromo-4-methylphenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483037
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid
CID 43239764
3-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]propanoic acid
CID 60845240
2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 112786473
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825836
2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
CID 4844962
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide
CID 7997320
1-(2-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62031562

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide (CID 60653739) is 2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide is O=C(COc1ccc(F)cc1Br)N(CCO)CCO.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
The InChIKey is NDJYTBUNLDDNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO4/c13-10-7-9(14)1-2-11(10)19-8-12(18)15(3-5-16)4-6-17/h1-2,7,16-17H,3-6,8H2.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide has a molecular weight of 336.16 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide is sourced from PubChem (CID 60653739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).