2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide

C16H14ClF2NO2 — CID 55593364

IUPAC2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14ClF2NO2/c1-2-20(12-5-8-14(18)15(19)9-12)16(21)10-22-13-6-3-11(17)4-7-13/h3-9H,2,10H2,1H3
InChIKeyRXDGBSMMDNUKFV-UHFFFAOYSA-N
MW325.74 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide

2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide (PubChem CID 55593364) has the molecular formula C16H14ClF2NO2 and a molecular weight of 325.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide
PubChem CID55593364
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC Name2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14ClF2NO2/c1-2-20(12-5-8-14(18)15(19)9-12)16(21)10-22-13-6-3-11(17)4-7-13/h3-9H,2,10H2,1H3
InChIKeyRXDGBSMMDNUKFV-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55609390
2-amino-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 28794968
2-(4-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61027807
2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide
CID 94626264
2-(3-chlorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 112977302
N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide
CID 55592767
2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide
CID 28794782
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863
2-(4-chlorophenoxy)-N-(4-methoxyphenyl)acetohydrazide
CID 163509592
N-butyl-2-(3,4-difluorophenoxy)-N-ethylacetamide
CID 78814916
N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide
CID 55593466

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide (CID 55593364) is 2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide is CCN(C(=O)COc1ccc(Cl)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide?
The InChIKey is RXDGBSMMDNUKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c1-2-20(12-5-8-14(18)15(19)9-12)16(21)10-22-13-6-3-11(17)4-7-13/h3-9H,2,10H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide?
2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide has a molecular weight of 325.74 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide is sourced from PubChem (CID 55593364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).