N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide

C17H17F2NO — CID 55592767

IUPACN-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide
SMILESCCN(C(=O)Cc1ccc(C)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO/c1-3-20(14-8-9-15(18)16(19)11-14)17(21)10-13-6-4-12(2)5-7-13/h4-9,11H,3,10H2,1-2H3
InChIKeyOCPPIQPSSRXNEK-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.87
Rot. Bonds4

About N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide

N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide (PubChem CID 55592767) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide
PubChem CID55592767
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide
SMILESCCN(C(=O)Cc1ccc(C)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO/c1-3-20(14-8-9-15(18)16(19)11-14)17(21)10-13-6-4-12(2)5-7-13/h4-9,11H,3,10H2,1-2H3
InChIKeyOCPPIQPSSRXNEK-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55591847
2-amino-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 28794968
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094
N-(3,5-dimethylphenyl)-N-ethyl-2-phenylacetamide
CID 55592045
2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 55593364
N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide
CID 142224327
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-ethyl-N-(2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 3610846
N,N-diethyl-2-(N-ethyl-3,4-difluoroanilino)acetamide
CID 78903043
N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide
CID 55593466
4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 63185035
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 78833376

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide (CID 55592767) is N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide is CCN(C(=O)Cc1ccc(C)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide?
The InChIKey is OCPPIQPSSRXNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-3-20(14-8-9-15(18)16(19)11-14)17(21)10-13-6-4-12(2)5-7-13/h4-9,11H,3,10H2,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide?
N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide has a molecular weight of 289.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 55592767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).