N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide

C19H19FN2O3 — CID 113061648

IUPACN-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
SMILESCC(=O)c1ccc(N(CCNC(=O)c2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C19H19FN2O3/c1-13(23)15-5-9-18(10-6-15)22(14(2)24)12-11-21-19(25)16-3-7-17(20)8-4-16/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKeyGJUSKNNENDWNKR-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.81
Rot. Bonds6

About N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide

N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide (PubChem CID 113061648) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
PubChem CID113061648
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
SMILESCC(=O)c1ccc(N(CCNC(=O)c2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C19H19FN2O3/c1-13(23)15-5-9-18(10-6-15)22(14(2)24)12-11-21-19(25)16-3-7-17(20)8-4-16/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKeyGJUSKNNENDWNKR-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113059333
N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
N-[2-(N,4-diacetylanilino)ethyl]acetamide
CID 113061629
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
CID 113059341
methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061960
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide
CID 113058875
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321
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,4-diacetylanilino)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide (CID 113061648) is N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide is CC(=O)c1ccc(N(CCNC(=O)c2ccc(F)cc2)C(C)=O)cc1.
What is the InChIKey of N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide?
The InChIKey is GJUSKNNENDWNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-13(23)15-5-9-18(10-6-15)22(14(2)24)12-11-21-19(25)16-3-7-17(20)8-4-16/h3-10H,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide?
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide has a molecular weight of 342.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 113061648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).