N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide

C19H21FN2O2 — CID 113059183

IUPACN-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C)c(C)c1)c1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-13-8-9-16(12-14(13)2)19(24)21-10-11-22(15(3)23)18-7-5-4-6-17(18)20/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyHMPALPTZJPNNRP-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.23
Rot. Bonds5

About N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide

N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide (PubChem CID 113059183) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
PubChem CID113059183
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C)c(C)c1)c1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-13-8-9-16(12-14(13)2)19(24)21-10-11-22(15(3)23)18-7-5-4-6-17(18)20/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyHMPALPTZJPNNRP-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide
CID 113059185
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
CID 113059178
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide
CID 113057996
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide
CID 113058813
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
CID 113059416
N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059217
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
CID 113061310

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide (CID 113059183) is N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide is CC(=O)N(CCNC(=O)c1ccc(C)c(C)c1)c1ccccc1F.
What is the InChIKey of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide?
The InChIKey is HMPALPTZJPNNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-8-9-16(12-14(13)2)19(24)21-10-11-22(15(3)23)18-7-5-4-6-17(18)20/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide?
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide has a molecular weight of 328.39 g/mol, XLogP of 3.23, 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-fluoroanilino)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113059183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).