2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide

C18H19BrClFN2O2 — CID 42890728

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide
SMILESCN(C)C(CNC(=O)COc1ccc(F)cc1Br)c1ccccc1Cl
InChIInChI=1S/C18H19BrClFN2O2/c1-23(2)16(13-5-3-4-6-15(13)20)10-22-18(24)11-25-17-8-7-12(21)9-14(17)19/h3-9,16H,10-11H2,1-2H3,(H,22,24)
InChIKeyCENNOSCRNMMDKQ-UHFFFAOYSA-N
MW429.72 g/mol
LogP4.04
Rot. Bonds7

About 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide

2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide (PubChem CID 42890728) has the molecular formula C18H19BrClFN2O2 and a molecular weight of 429.72 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide
PubChem CID42890728
Molecular FormulaC18H19BrClFN2O2
Molecular Weight429.72 g/mol
Exact Mass428.03
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide
SMILESCN(C)C(CNC(=O)COc1ccc(F)cc1Br)c1ccccc1Cl
InChIInChI=1S/C18H19BrClFN2O2/c1-23(2)16(13-5-3-4-6-15(13)20)10-22-18(24)11-25-17-8-7-12(21)9-14(17)19/h3-9,16H,10-11H2,1-2H3,(H,22,24)
InChIKeyCENNOSCRNMMDKQ-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.72
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-naphthalen-2-yloxyacetamide
CID 43003288
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807867
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 43843181
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 24542506
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 43006220
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-fluorophenoxy)acetamide
CID 41318277
2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]acetamide
CID 45155076
2-(2-bromo-4-fluorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725719
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 42906840
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 24638684
2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 43842984

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide (CID 42890728) is 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide is CN(C)C(CNC(=O)COc1ccc(F)cc1Br)c1ccccc1Cl.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide?
The InChIKey is CENNOSCRNMMDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClFN2O2/c1-23(2)16(13-5-3-4-6-15(13)20)10-22-18(24)11-25-17-8-7-12(21)9-14(17)19/h3-9,16H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide?
2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide has a molecular weight of 429.72 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 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-chlorophenyl)-2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 42890728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).