2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide

C20H21BrFNO3 — CID 19120014

IUPAC2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)N(Cc1ccccc1F)CC1CCCO1
InChIInChI=1S/C20H21BrFNO3/c21-16-7-9-17(10-8-16)26-14-20(24)23(13-18-5-3-11-25-18)12-15-4-1-2-6-19(15)22/h1-2,4,6-10,18H,3,5,11-14H2
InChIKeyFISDZDPSDVMDMI-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.17
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide

2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 19120014) has the molecular formula C20H21BrFNO3 and a molecular weight of 422.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID19120014
Molecular FormulaC20H21BrFNO3
Molecular Weight422.29 g/mol
Exact Mass421.07
IUPAC Name2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)N(Cc1ccccc1F)CC1CCCO1
InChIInChI=1S/C20H21BrFNO3/c21-16-7-9-17(10-8-16)26-14-20(24)23(13-18-5-3-11-25-18)12-15-4-1-2-6-19(15)22/h1-2,4,6-10,18H,3,5,11-14H2
InChIKeyFISDZDPSDVMDMI-UHFFFAOYSA-N
XLogP4.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 19120015
2-(4-bromophenoxy)-N-[(2,4-dichlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40871759
N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 60520005
2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 19120019
2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40841722
2-bromo-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120010
2-(4-bromophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 40851324
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40850277
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008
6-bromo-N-[(2-fluorophenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19120202
2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42238955
2-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-phenylacetamide
CID 110753047

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide (CID 19120014) is 2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(COc1ccc(Br)cc1)N(Cc1ccccc1F)CC1CCCO1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FISDZDPSDVMDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrFNO3/c21-16-7-9-17(10-8-16)26-14-20(24)23(13-18-5-3-11-25-18)12-15-4-1-2-6-19(15)22/h1-2,4,6-10,18H,3,5,11-14H2.
What are the key properties of 2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 422.29 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 19120014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).