N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide

C20H23FN2O4 — CID 113061260

IUPACN-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCOc1ccc(N(CCNC(=O)Cc2cccc(F)c2)C(C)=O)c(OC)c1
InChIInChI=1S/C20H23FN2O4/c1-14(24)23(18-8-7-17(26-2)13-19(18)27-3)10-9-22-20(25)12-15-5-4-6-16(21)11-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,25)
InChIKeyGRTOARNYMMQOQD-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.55
Rot. Bonds8

About N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide

N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113061260) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113061260
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCOc1ccc(N(CCNC(=O)Cc2cccc(F)c2)C(C)=O)c(OC)c1
InChIInChI=1S/C20H23FN2O4/c1-14(24)23(18-8-7-17(26-2)13-19(18)27-3)10-9-22-20(25)12-15-5-4-6-16(21)11-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,25)
InChIKeyGRTOARNYMMQOQD-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-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide
CID 113061243
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113057339
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061222
N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113054955
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113062642
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113061258
N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113056526
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113062203
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
N-(2,4-dimethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113061264
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide
CID 113061146

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide (CID 113061260) is N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide is COc1ccc(N(CCNC(=O)Cc2cccc(F)c2)C(C)=O)c(OC)c1.
What is the InChIKey of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is GRTOARNYMMQOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-14(24)23(18-8-7-17(26-2)13-19(18)27-3)10-9-22-20(25)12-15-5-4-6-16(21)11-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)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-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113061260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).