3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide

C19H20F2N2O2 — CID 113120880

IUPAC3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1F)CCc1ccccc1
InChIInChI=1S/C19H20F2N2O2/c1-14(24)23(11-9-15-5-3-2-4-6-15)12-10-19(25)22-18-8-7-16(20)13-17(18)21/h2-8,13H,9-12H2,1H3,(H,22,25)
InChIKeyZGLAQEWQKGOARX-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.38
Rot. Bonds7

About 3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide

3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide (PubChem CID 113120880) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide
PubChem CID113120880
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1F)CCc1ccccc1
InChIInChI=1S/C19H20F2N2O2/c1-14(24)23(11-9-15-5-3-2-4-6-15)12-10-19(25)22-18-8-7-16(20)13-17(18)21/h2-8,13H,9-12H2,1H3,(H,22,25)
InChIKeyZGLAQEWQKGOARX-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113121318
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113123156
3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113116082
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119688
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121143
N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 21373041
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
CID 113120818
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113123284
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-fluorophenyl)acetamide
CID 113164409

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide (CID 113120880) is 3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)cc1F)CCc1ccccc1.
What is the InChIKey of 3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is ZGLAQEWQKGOARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-14(24)23(11-9-15-5-3-2-4-6-15)12-10-19(25)22-18-8-7-16(20)13-17(18)21/h2-8,13H,9-12H2,1H3,(H,22,25).
What are the key properties of 3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide?
3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 346.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 113120880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).