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

C20H26FN3O — CID 78826763

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide
SMILESCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O/c1-5-24(19-12-8-17(21)9-13-19)15-20(25)23(4)14-16-6-10-18(11-7-16)22(2)3/h6-13H,5,14-15H2,1-4H3
InChIKeyWBNWYKWDDWSJRH-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.38
Rot. Bonds7

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

N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide (PubChem CID 78826763) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide
PubChem CID78826763
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide
SMILESCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O/c1-5-24(19-12-8-17(21)9-13-19)15-20(25)23(4)14-16-6-10-18(11-7-16)22(2)3/h6-13H,5,14-15H2,1-4H3
InChIKeyWBNWYKWDDWSJRH-UHFFFAOYSA-N
XLogP3.38
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78826759
2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78826757
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 60672644
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-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62492005
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
5-[[4-(dimethylamino)phenyl]methyl-methylamino]-5-oxopentanoic acid
CID 60953988
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487
3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide
CID 86891100

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide (CID 78826763) is N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide is CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide?
The InChIKey is WBNWYKWDDWSJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-5-24(19-12-8-17(21)9-13-19)15-20(25)23(4)14-16-6-10-18(11-7-16)22(2)3/h6-13H,5,14-15H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide has a molecular weight of 343.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide is sourced from PubChem (CID 78826763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).