N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide

C17H17ClFNO2 — CID 112778759

IUPACN-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFNO2/c1-2-20(11-13-6-4-3-5-7-13)17(21)12-22-14-8-9-16(19)15(18)10-14/h3-10H,2,11-12H2,1H3
InChIKeySBVZQSKWENBKJO-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.91
Rot. Bonds6

About N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide

N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide (PubChem CID 112778759) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide
PubChem CID112778759
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC NameN-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFNO2/c1-2-20(11-13-6-4-3-5-7-13)17(21)12-22-14-8-9-16(19)15(18)10-14/h3-10H,2,11-12H2,1H3
InChIKeySBVZQSKWENBKJO-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 55397253
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide
CID 112978890
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide
CID 7964477
N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide
CID 120649279
[4-[[benzyl-[2-(4-chlorophenoxy)acetyl]amino]methyl]phenyl] methanesulfonate
CID 4527269
2-(3-chloro-4-fluorophenoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 55555870
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534
N,N-dibenzyl-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732976
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide (CID 112778759) is N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide?
The InChIKey is SBVZQSKWENBKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-2-20(11-13-6-4-3-5-7-13)17(21)12-22-14-8-9-16(19)15(18)10-14/h3-10H,2,11-12H2,1H3.
What are the key properties of N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide?
N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide has a molecular weight of 321.78 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide is sourced from PubChem (CID 112778759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).