N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide

C19H21FN2O3 — CID 113060664

IUPACN-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCOc1ccc(N(CCNC(=O)Cc2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C19H21FN2O3/c1-14(23)22(17-7-9-18(25-2)10-8-17)12-11-21-19(24)13-15-3-5-16(20)6-4-15/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyQBEWRAGVILOAPT-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.55
Rot. Bonds7

About N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide

N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113060664) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID113060664
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCOc1ccc(N(CCNC(=O)Cc2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C19H21FN2O3/c1-14(23)22(17-7-9-18(25-2)10-8-17)12-11-21-19(24)13-15-3-5-16(20)6-4-15/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyQBEWRAGVILOAPT-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113061315
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113059999
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
CID 91715659
N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113061572
methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
CID 113059341
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113062385
methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061971
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113059334

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide (CID 113060664) is N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide is COc1ccc(N(CCNC(=O)Cc2ccc(F)cc2)C(C)=O)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is QBEWRAGVILOAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-14(23)22(17-7-9-18(25-2)10-8-17)12-11-21-19(24)13-15-3-5-16(20)6-4-15/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113060664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).