3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide

C20H22F3N3O2 — CID 113131796

IUPAC3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H22F3N3O2/c1-14(27)26(18-10-8-17(9-11-18)25(2)3)13-12-19(28)24-16-6-4-15(5-7-16)20(21,22)23/h4-11H,12-13H2,1-3H3,(H,24,28)
InChIKeyBSZUKMMNOBENLS-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.15
Rot. Bonds6

About 3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide

3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 113131796) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID113131796
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H22F3N3O2/c1-14(27)26(18-10-8-17(9-11-18)25(2)3)13-12-19(28)24-16-6-4-15(5-7-16)20(21,22)23/h4-11H,12-13H2,1-3H3,(H,24,28)
InChIKeyBSZUKMMNOBENLS-UHFFFAOYSA-N
XLogP4.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.15
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-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113125934
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 113130514
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 113130512
3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 113123875
3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide
CID 113131770
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
CID 113175364
methyl 4-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176468
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113129649
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide
CID 113175341
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide
CID 113130495
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 113131796) is 3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BSZUKMMNOBENLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-14(27)26(18-10-8-17(9-11-18)25(2)3)13-12-19(28)24-16-6-4-15(5-7-16)20(21,22)23/h4-11H,12-13H2,1-3H3,(H,24,28).
What are the key properties of 3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 393.41 g/mol, XLogP of 4.15, 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-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113131796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).