2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide

C15H22FN3O2 — CID 113177580

IUPAC2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(=O)N(CC(=O)NCCCN(C)C)c1cccc(F)c1
InChIInChI=1S/C15H22FN3O2/c1-12(20)19(14-7-4-6-13(16)10-14)11-15(21)17-8-5-9-18(2)3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,17,21)
InChIKeySVGKSPCOYIOTKY-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.25
Rot. Bonds7

About 2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide

2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 113177580) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID113177580
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(=O)N(CC(=O)NCCCN(C)C)c1cccc(F)c1
InChIInChI=1S/C15H22FN3O2/c1-12(20)19(14-7-4-6-13(16)10-14)11-15(21)17-8-5-9-18(2)3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,17,21)
InChIKeySVGKSPCOYIOTKY-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113169224
2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113167668
2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172179
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593
3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
CID 113132410
2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172934
2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113177608
N-(4-acetamidophenyl)-2-(N-acetyl-3-fluoroanilino)acetamide
CID 113177708
3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113128887
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593
2-(N-acetyl-3-fluoroanilino)-N-(4-ethylphenyl)acetamide
CID 113177666
2-(N,3-diacetylanilino)-N-pentylacetamide
CID 113175445

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide (CID 113177580) is 2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide is CC(=O)N(CC(=O)NCCCN(C)C)c1cccc(F)c1.
What is the InChIKey of 2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is SVGKSPCOYIOTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-12(20)19(14-7-4-6-13(16)10-14)11-15(21)17-8-5-9-18(2)3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,17,21).
What are the key properties of 2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide?
2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 295.36 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 113177580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).