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

C19H22FN3O2 — CID 113131770

IUPAC3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1F)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H22FN3O2/c1-14(24)23(16-10-8-15(9-11-16)22(2)3)13-12-19(25)21-18-7-5-4-6-17(18)20/h4-11H,12-13H2,1-3H3,(H,21,25)
InChIKeyYTPHSDQZOHOJGO-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.27
Rot. Bonds6

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

3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide (PubChem CID 113131770) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide
PubChem CID113131770
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1F)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H22FN3O2/c1-14(24)23(16-10-8-15(9-11-16)22(2)3)13-12-19(25)21-18-7-5-4-6-17(18)20/h4-11H,12-13H2,1-3H3,(H,21,25)
InChIKeyYTPHSDQZOHOJGO-UHFFFAOYSA-N
XLogP3.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.27
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

methyl 4-[acetyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]benzoate
CID 113131545
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide
CID 113128049
3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113131702
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide
CID 113132144
N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide
CID 108954767
3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801
3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
CID 113131810
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973
3-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113125479
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
CID 113129771
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113062202

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide (CID 113131770) is 3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1F)c1ccc(N(C)C)cc1.
What is the InChIKey of 3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide?
The InChIKey is YTPHSDQZOHOJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-14(24)23(16-10-8-15(9-11-16)22(2)3)13-12-19(25)21-18-7-5-4-6-17(18)20/h4-11H,12-13H2,1-3H3,(H,21,25).
What are the key properties of 3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide?
3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide has a molecular weight of 343.40 g/mol, XLogP of 3.27, 6 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)propanamide is sourced from PubChem (CID 113131770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).