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

C20H23FN2O2 — CID 113058782

IUPACN-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1F)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H23FN2O2/c1-13-11-14(2)19(15(3)12-13)23(16(4)24)10-9-22-20(25)17-7-5-6-8-18(17)21/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)
InChIKeyGHXRQWYHERDVGT-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.53
Rot. Bonds5

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

N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide (PubChem CID 113058782) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide
PubChem CID113058782
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1F)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H23FN2O2/c1-13-11-14(2)19(15(3)12-13)23(16(4)24)10-9-22-20(25)17-7-5-6-8-18(17)21/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)
InChIKeyGHXRQWYHERDVGT-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide
CID 113058813
N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide
CID 113062914
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113059896
N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide
CID 113063996
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide
CID 113057694
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide
CID 113060172
methyl 3-[acetyl-[2-[(2-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061958
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
CID 113059807
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113068977

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide (CID 113058782) is N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide is CC(=O)N(CCNC(=O)c1ccccc1F)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide?
The InChIKey is GHXRQWYHERDVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-13-11-14(2)19(15(3)12-13)23(16(4)24)10-9-22-20(25)17-7-5-6-8-18(17)21/h5-8,11-12H,9-10H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide?
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide has a molecular weight of 342.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 113058782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).