4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide

C16H14BrClFNO2 — CID 60589214

IUPAC4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C16H14BrClFNO2/c1-20(8-9-22-13-5-3-12(18)4-6-13)16(21)11-2-7-14(17)15(19)10-11/h2-7,10H,8-9H2,1H3
InChIKeyAOSBFINWIRQPRZ-UHFFFAOYSA-N
MW386.65 g/mol
LogP4.39
Rot. Bonds5

About 4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide

4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide (PubChem CID 60589214) has the molecular formula C16H14BrClFNO2 and a molecular weight of 386.65 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide
PubChem CID60589214
Molecular FormulaC16H14BrClFNO2
Molecular Weight386.65 g/mol
Exact Mass384.99
IUPAC Name4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C16H14BrClFNO2/c1-20(8-9-22-13-5-3-12(18)4-6-13)16(21)11-2-7-14(17)15(19)10-11/h2-7,10H,8-9H2,1H3
InChIKeyAOSBFINWIRQPRZ-UHFFFAOYSA-N
XLogP4.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.65
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691977
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 31289866
N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide
CID 60599227
3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 103706992
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-nitrobenzamide
CID 27795603
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 46798216
N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71934907
tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate
CID 139317833
6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60676105
N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31470074

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide?
The IUPAC name of 4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide (CID 60589214) is 4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide is CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide?
The InChIKey is AOSBFINWIRQPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO2/c1-20(8-9-22-13-5-3-12(18)4-6-13)16(21)11-2-7-14(17)15(19)10-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide?
4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide has a molecular weight of 386.65 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 60589214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).