3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide

C20H23FN2O5 — CID 113126987

IUPAC3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCN(C(C)=O)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C20H23FN2O5/c1-13(24)23(16-7-5-14(21)6-8-16)10-9-19(25)22-15-11-17(26-2)20(28-4)18(12-15)27-3/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)
InChIKeyRMSQRGYZYWFUMX-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.23
Rot. Bonds8

About 3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide

3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 113126987) has the molecular formula C20H23FN2O5 and a molecular weight of 390.41 g/mol. Its IUPAC name is 3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID113126987
Molecular FormulaC20H23FN2O5
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCN(C(C)=O)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C20H23FN2O5/c1-13(24)23(16-7-5-14(21)6-8-16)10-9-19(25)22-15-11-17(26-2)20(28-4)18(12-15)27-3/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)
InChIKeyRMSQRGYZYWFUMX-UHFFFAOYSA-N
XLogP3.23
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide 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

3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113123896
3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126915
N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037688
3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
CID 113135117
N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
CID 24536642
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113119361
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127507
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113122095
3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113131170
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113120316

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 113126987) is 3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)CCN(C(C)=O)c2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is RMSQRGYZYWFUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5/c1-13(24)23(16-7-5-14(21)6-8-16)10-9-19(25)22-15-11-17(26-2)20(28-4)18(12-15)27-3/h5-8,11-12H,9-10H2,1-4H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 390.41 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 113126987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).