2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide

C14H19F2N3O2 — CID 113160577

IUPAC2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide
SMILESCC(=O)N(CCN(C)C)CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C14H19F2N3O2/c1-10(20)19(8-7-18(2)3)9-13(21)17-14-11(15)5-4-6-12(14)16/h4-6H,7-9H2,1-3H3,(H,17,21)
InChIKeyLDBSZXVFWZTYBU-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.31
Rot. Bonds6

About 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide (PubChem CID 113160577) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide
PubChem CID113160577
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide
SMILESCC(=O)N(CCN(C)C)CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C14H19F2N3O2/c1-10(20)19(8-7-18(2)3)9-13(21)17-14-11(15)5-4-6-12(14)16/h4-6H,7-9H2,1-3H3,(H,17,21)
InChIKeyLDBSZXVFWZTYBU-UHFFFAOYSA-N
XLogP1.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(3-phenylpropyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 113165936
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
CID 113160473
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
CID 119266607
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide
CID 113160547
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113164231
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide
CID 113165654
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide
CID 113160554
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113164396
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253301
N-(2,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685460
N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2451655

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide (CID 113160577) is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide is CC(=O)N(CCN(C)C)CC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide?
The InChIKey is LDBSZXVFWZTYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-10(20)19(8-7-18(2)3)9-13(21)17-14-11(15)5-4-6-12(14)16/h4-6H,7-9H2,1-3H3,(H,17,21).
What are the key properties of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide?
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide has a molecular weight of 299.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 113160577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).