N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide

C21H25FN2O2 — CID 113058875

IUPACN-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide
SMILESCCc1cccc(CC)c1N(CCNC(=O)c1ccc(F)cc1)C(C)=O
InChIInChI=1S/C21H25FN2O2/c1-4-16-7-6-8-17(5-2)20(16)24(15(3)25)14-13-23-21(26)18-9-11-19(22)12-10-18/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)
InChIKeyBNAQPXCKBJCXKO-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.73
Rot. Bonds7

About N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide

N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide (PubChem CID 113058875) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide
PubChem CID113058875
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide
SMILESCCc1cccc(CC)c1N(CCNC(=O)c1ccc(F)cc1)C(C)=O
InChIInChI=1S/C21H25FN2O2/c1-4-16-7-6-8-17(5-2)20(16)24(15(3)25)14-13-23-21(26)18-9-11-19(22)12-10-18/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)
InChIKeyBNAQPXCKBJCXKO-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide
CID 113058508
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-ethylbutanamide
CID 113058866
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113058904
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061960
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113058887
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113059333
methyl 2-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061889
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113058905
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113059334
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide (CID 113058875) is N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide is CCc1cccc(CC)c1N(CCNC(=O)c1ccc(F)cc1)C(C)=O.
What is the InChIKey of N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide?
The InChIKey is BNAQPXCKBJCXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-4-16-7-6-8-17(5-2)20(16)24(15(3)25)14-13-23-21(26)18-9-11-19(22)12-10-18/h6-12H,4-5,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide?
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide has a molecular weight of 356.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 113058875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).