3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide

C20H24FN3O2 — CID 113131702

IUPAC3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1F)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H24FN3O2/c1-15(25)24(18-10-8-17(9-11-18)23(2)3)13-12-20(26)22-14-16-6-4-5-7-19(16)21/h4-11H,12-14H2,1-3H3,(H,22,26)
InChIKeyXGHGTUBFGVQBOY-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.95
Rot. Bonds7

About 3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide

3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 113131702) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID113131702
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1F)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H24FN3O2/c1-15(25)24(18-10-8-17(9-11-18)23(2)3)13-12-20(26)22-14-16-6-4-5-7-19(16)21/h4-11H,12-14H2,1-3H3,(H,22,26)
InChIKeyXGHGTUBFGVQBOY-UHFFFAOYSA-N
XLogP2.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113131097
3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113129401
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113062202
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113132364
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183
3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide
CID 113131770
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113133971
2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113169236
3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113128131
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113059334
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide (CID 113131702) is 3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccccc1F)c1ccc(N(C)C)cc1.
What is the InChIKey of 3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is XGHGTUBFGVQBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-15(25)24(18-10-8-17(9-11-18)23(2)3)13-12-20(26)22-14-16-6-4-5-7-19(16)21/h4-11H,12-14H2,1-3H3,(H,22,26).
What are the key properties of 3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide?
3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 357.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 113131702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).