3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide

C20H21FN2O3 — CID 113119196

IUPAC3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(Cc2ccccc2F)C(C)=O)cc1
InChIInChI=1S/C20H21FN2O3/c1-14(24)16-7-9-18(10-8-16)22-20(26)11-12-23(15(2)25)13-17-5-3-4-6-19(17)21/h3-10H,11-13H2,1-2H3,(H,22,26)
InChIKeyRHQVWZYYKLTAOC-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.41
Rot. Bonds7

About 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide (PubChem CID 113119196) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
PubChem CID113119196
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(Cc2ccccc2F)C(C)=O)cc1
InChIInChI=1S/C20H21FN2O3/c1-14(24)16-7-9-18(10-8-16)22-20(26)11-12-23(15(2)25)13-17-5-3-4-6-19(17)21/h3-10H,11-13H2,1-2H3,(H,22,26)
InChIKeyRHQVWZYYKLTAOC-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide
CID 113119208
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120287
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113119165
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide
CID 113119222
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113119233
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
ethyl 4-[3-[acetyl-[(2-methylphenyl)methyl]amino]propanoylamino]benzoate
CID 113118522
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113119173
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 113119070
3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide
CID 113116053

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide (CID 113119196) is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide is CC(=O)c1ccc(NC(=O)CCN(Cc2ccccc2F)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide?
The InChIKey is RHQVWZYYKLTAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-14(24)16-7-9-18(10-8-16)22-20(26)11-12-23(15(2)25)13-17-5-3-4-6-19(17)21/h3-10H,11-13H2,1-2H3,(H,22,26).
What are the key properties of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide?
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide has a molecular weight of 356.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide is sourced from PubChem (CID 113119196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).