N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide

C20H23FN2O4 — CID 113062642

IUPACN-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(C(C)=O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C20H23FN2O4/c1-14(24)23(17-6-4-5-16(21)13-17)10-9-22-20(25)12-15-7-8-18(26-2)19(11-15)27-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,25)
InChIKeyGQXMUQTUFRNWOR-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.55
Rot. Bonds8

About N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 113062642) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID113062642
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(C(C)=O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C20H23FN2O4/c1-14(24)23(17-6-4-5-16(21)13-17)10-9-22-20(25)12-15-7-8-18(26-2)19(11-15)27-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,25)
InChIKeyGQXMUQTUFRNWOR-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113061315
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113064241
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113062661
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113058807
N-[2-(N-acetyl-2-chloroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113059443
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113061260
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113062203
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide
CID 113062635
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113054955
N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113061572

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 113062642) is N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NCCN(C(C)=O)c2cccc(F)c2)cc1OC.
What is the InChIKey of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is GQXMUQTUFRNWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-14(24)23(17-6-4-5-16(21)13-17)10-9-22-20(25)12-15-7-8-18(26-2)19(11-15)27-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 374.41 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113062642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).