2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide

C15H21F2N3O2 — CID 113160935

IUPAC2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide
SMILESCC(=O)N(CCCN(C)C)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H21F2N3O2/c1-11(21)20(8-4-7-19(2)3)10-15(22)18-14-6-5-12(16)9-13(14)17/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,22)
InChIKeyGWINNTBGWSGUQQ-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.70
Rot. Bonds7

About 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide

2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide (PubChem CID 113160935) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide
PubChem CID113160935
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide
SMILESCC(=O)N(CCCN(C)C)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H21F2N3O2/c1-11(21)20(8-4-7-19(2)3)10-15(22)18-14-6-5-12(16)9-13(14)17/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,22)
InChIKeyGWINNTBGWSGUQQ-UHFFFAOYSA-N
XLogP1.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113166624
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113162490
3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113123156
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113160861
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113161524
2-(N-acetyl-2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 113179083
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide
CID 113160867
3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113116082
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283
2-(N-acetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167233
2-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167429
2-(N-acetyl-4-methylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167823

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide (CID 113160935) is 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide is CC(=O)N(CCCN(C)C)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is GWINNTBGWSGUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-11(21)20(8-4-7-19(2)3)10-15(22)18-14-6-5-12(16)9-13(14)17/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,22).
What are the key properties of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide?
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 313.35 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 113160935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).