3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide

C21H25FN2O4 — CID 113130221

IUPAC3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCOc1ccc(N(CCC(=O)NCCc2ccccc2F)C(C)=O)cc1OC
InChIInChI=1S/C21H25FN2O4/c1-15(25)24(17-8-9-19(27-2)20(14-17)28-3)13-11-21(26)23-12-10-16-6-4-5-7-18(16)22/h4-9,14H,10-13H2,1-3H3,(H,23,26)
InChIKeyHKOAIXPNCGSTQE-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.94
Rot. Bonds9

About 3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide

3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide (PubChem CID 113130221) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
PubChem CID113130221
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCOc1ccc(N(CCC(=O)NCCc2ccccc2F)C(C)=O)cc1OC
InChIInChI=1S/C21H25FN2O4/c1-15(25)24(17-8-9-19(27-2)20(14-17)28-3)13-11-21(26)23-12-10-16-6-4-5-7-18(16)22/h4-9,14H,10-13H2,1-3H3,(H,23,26)
InChIKeyHKOAIXPNCGSTQE-UHFFFAOYSA-N
XLogP2.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-3,4-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113124504
3-(N-acetyl-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113129983
3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113126674
3-(N-acetylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113123377
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113130211
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113123573
3-(N-acetyl-3,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130181
3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113135055
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113061315
3-(N-acetyl-3,5-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113124689
3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide
CID 113130179

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide (CID 113130221) is 3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide is COc1ccc(N(CCC(=O)NCCc2ccccc2F)C(C)=O)cc1OC.
What is the InChIKey of 3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is HKOAIXPNCGSTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-15(25)24(17-8-9-19(27-2)20(14-17)28-3)13-11-21(26)23-12-10-16-6-4-5-7-18(16)22/h4-9,14H,10-13H2,1-3H3,(H,23,26).
What are the key properties of 3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 388.44 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 113130221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).