2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

C18H20F2N2O — CID 78826759

IUPAC2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCCN(CC(=O)N(C)Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20F2N2O/c1-3-22(17-10-8-16(20)9-11-17)13-18(23)21(2)12-14-4-6-15(19)7-5-14/h4-11H,3,12-13H2,1-2H3
InChIKeyBLZWVOYTHXLOKI-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.45
Rot. Bonds6

About 2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 78826759) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID78826759
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCCN(CC(=O)N(C)Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20F2N2O/c1-3-22(17-10-8-16(20)9-11-17)13-18(23)21(2)12-14-4-6-15(19)7-5-14/h4-11H,3,12-13H2,1-2H3
InChIKeyBLZWVOYTHXLOKI-UHFFFAOYSA-N
XLogP3.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide
CID 78826763
2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78826757
3-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911834
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604549
N,N-diethyl-4-fluoroaniline
CID 592416
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide
CID 86891100
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 27073013
2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78771203

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (CID 78826759) is 2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is CCN(CC(=O)N(C)Cc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is BLZWVOYTHXLOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-3-22(17-10-8-16(20)9-11-17)13-18(23)21(2)12-14-4-6-15(19)7-5-14/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 318.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 78826759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).