3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide

C20H24FN3O2 — CID 60571271

IUPAC3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide
SMILESCCN(CCNC(=O)c1ccc(F)c(NC(C)=O)c1)c1ccccc1C
InChIInChI=1S/C20H24FN3O2/c1-4-24(19-8-6-5-7-14(19)2)12-11-22-20(26)16-9-10-17(21)18(13-16)23-15(3)25/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyQMQZFLYHKMAFGS-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.35
Rot. Bonds7

About 3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide

3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide (PubChem CID 60571271) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide
PubChem CID60571271
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide
SMILESCCN(CCNC(=O)c1ccc(F)c(NC(C)=O)c1)c1ccccc1C
InChIInChI=1S/C20H24FN3O2/c1-4-24(19-8-6-5-7-14(19)2)12-11-22-20(26)16-9-10-17(21)18(13-16)23-15(3)25/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyQMQZFLYHKMAFGS-UHFFFAOYSA-N
XLogP3.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46478529
4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 52608359
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide
CID 119506215
4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 55725426
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119506214
3-acetamido-N-(3-aminopropyl)-4-fluorobenzamide
CID 119406204
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
CID 113059183
3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide
CID 60564329
N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 46478628
3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride
CID 119496404
N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide
CID 46478751
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide?
The IUPAC name of 3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide (CID 60571271) is 3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide?
The canonical SMILES for 3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide is CCN(CCNC(=O)c1ccc(F)c(NC(C)=O)c1)c1ccccc1C.
What is the InChIKey of 3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide?
The InChIKey is QMQZFLYHKMAFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-4-24(19-8-6-5-7-14(19)2)12-11-22-20(26)16-9-10-17(21)18(13-16)23-15(3)25/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide?
3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide has a molecular weight of 357.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 60571271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).