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

C20H23FN2O4 — CID 113061315

IUPACN-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCOc1ccc(N(CCNC(=O)Cc2ccc(F)cc2)C(C)=O)cc1OC
InChIInChI=1S/C20H23FN2O4/c1-14(24)23(17-8-9-18(26-2)19(13-17)27-3)11-10-22-20(25)12-15-4-6-16(21)7-5-15/h4-9,13H,10-12H2,1-3H3,(H,22,25)
InChIKeyHAMPFLQCSZUIJT-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.55
Rot. Bonds8

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

N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113061315) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID113061315
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCOc1ccc(N(CCNC(=O)Cc2ccc(F)cc2)C(C)=O)cc1OC
InChIInChI=1S/C20H23FN2O4/c1-14(24)23(17-8-9-18(26-2)19(13-17)27-3)11-10-22-20(25)12-15-4-6-16(21)7-5-15/h4-9,13H,10-12H2,1-3H3,(H,22,25)
InChIKeyHAMPFLQCSZUIJT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113062642
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061293
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113059329
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
CID 113061310
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113064241
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113064623
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113059999
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide (CID 113061315) is N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide is COc1ccc(N(CCNC(=O)Cc2ccc(F)cc2)C(C)=O)cc1OC.
What is the InChIKey of N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is HAMPFLQCSZUIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-14(24)23(17-8-9-18(26-2)19(13-17)27-3)11-10-22-20(25)12-15-4-6-16(21)7-5-15/h4-9,13H,10-12H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-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-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113061315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).