2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide

C15H13ClFNO2 — CID 94626264

IUPAC2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO2/c1-18(13-6-4-12(17)5-7-13)15(19)10-20-14-8-2-11(16)3-9-14/h2-9H,10H2,1H3
InChIKeyHTGBKDPJONFPCS-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.52
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide

2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide (PubChem CID 94626264) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide
PubChem CID94626264
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)COc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO2/c1-18(13-6-4-12(17)5-7-13)15(19)10-20-14-8-2-11(16)3-9-14/h2-9H,10H2,1H3
InChIKeyHTGBKDPJONFPCS-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)-2-(4-fluorophenoxy)-N-methylacetamide
CID 43376484
N-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)-N-methylacetamide
CID 63880193
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate
CID 134104348
2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 55593364
N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide
CID 83231324
N-(4-aminophenyl)-2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 43621859
5-(4-chlorophenoxy)-1-(4-fluorophenoxy)-3,3-dimethylpentan-2-one
CID 13322877
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 78801070
2-(4-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61027807
N-[4-[3-(4-chlorophenoxy)propoxy]phenyl]-N-methylacetamide
CID 166215355
2-(4-chlorophenoxy)-N-(4-methoxyphenyl)acetohydrazide
CID 163509592

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide (CID 94626264) is 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide is CN(C(=O)COc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is HTGBKDPJONFPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-18(13-6-4-12(17)5-7-13)15(19)10-20-14-8-2-11(16)3-9-14/h2-9H,10H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide?
2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 293.73 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 94626264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).