3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide

C20H22FN3O3 — CID 113131097

IUPAC3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(=O)Nc1ccc(N(CCC(=O)NCc2ccccc2F)C(C)=O)cc1
InChIInChI=1S/C20H22FN3O3/c1-14(25)23-17-7-9-18(10-8-17)24(15(2)26)12-11-20(27)22-13-16-5-3-4-6-19(16)21/h3-10H,11-13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyFRSYNJZBNHHKGJ-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.84
Rot. Bonds7

About 3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide

3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 113131097) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID113131097
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(=O)Nc1ccc(N(CCC(=O)NCc2ccccc2F)C(C)=O)cc1
InChIInChI=1S/C20H22FN3O3/c1-14(25)23-17-7-9-18(10-8-17)24(15(2)26)12-11-20(27)22-13-16-5-3-4-6-19(16)21/h3-10H,11-13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyFRSYNJZBNHHKGJ-UHFFFAOYSA-N
XLogP2.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113131702
3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113129401
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113132364
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113133971
2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113169236
3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113128131
2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 2537006
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113059334
3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide
CID 113131124
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide (CID 113131097) is 3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide is CC(=O)Nc1ccc(N(CCC(=O)NCc2ccccc2F)C(C)=O)cc1.
What is the InChIKey of 3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is FRSYNJZBNHHKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-14(25)23-17-7-9-18(10-8-17)24(15(2)26)12-11-20(27)22-13-16-5-3-4-6-19(16)21/h3-10H,11-13H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of 3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 371.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 113131097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).