N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide

C19H21FN2O4 — CID 113059182

IUPACN-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN(C(C)=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O4/c1-13(23)22(15-8-5-4-7-14(15)20)12-11-21-19(24)18-16(25-2)9-6-10-17(18)26-3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeySHJNROYNNWMCQZ-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.63
Rot. Bonds7

About N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide

N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide (PubChem CID 113059182) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
PubChem CID113059182
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN(C(C)=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O4/c1-13(23)22(15-8-5-4-7-14(15)20)12-11-21-19(24)18-16(25-2)9-6-10-17(18)26-3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeySHJNROYNNWMCQZ-UHFFFAOYSA-N
XLogP2.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113057179
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113064620
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
CID 113059178
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide
CID 113064434
methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
CID 113060483
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
CID 113059183
3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113126674
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide
CID 113059185
N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide
CID 113061378
N-[2-(N-acetyl-2-methoxyanilino)ethyl]furan-2-carboxamide
CID 113060433
N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059217

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide (CID 113059182) is N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCN(C(C)=O)c1ccccc1F.
What is the InChIKey of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide?
The InChIKey is SHJNROYNNWMCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13(23)22(15-8-5-4-7-14(15)20)12-11-21-19(24)18-16(25-2)9-6-10-17(18)26-3/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide?
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide has a molecular weight of 360.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 113059182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).