N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide

C20H24F3N3O — CID 56552750

IUPACN-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCN(CCCCNC(=O)CNc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C20H24F3N3O/c1-26(18-10-3-2-4-11-18)13-6-5-12-24-19(27)15-25-17-9-7-8-16(14-17)20(21,22)23/h2-4,7-11,14,25H,5-6,12-13,15H2,1H3,(H,24,27)
InChIKeyDGXQNINPZYLXFS-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.15
Rot. Bonds9

About N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56552750) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56552750
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC NameN-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCN(CCCCNC(=O)CNc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C20H24F3N3O/c1-26(18-10-3-2-4-11-18)13-6-5-12-24-19(27)15-25-17-9-7-8-16(14-17)20(21,22)23/h2-4,7-11,14,25H,5-6,12-13,15H2,1H3,(H,24,27)
InChIKeyDGXQNINPZYLXFS-UHFFFAOYSA-N
XLogP4.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552526
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540495
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56539922
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108960617
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56553142
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56538872
N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838383
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
CID 64685522

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56552750) is N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide is CN(CCCCNC(=O)CNc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is DGXQNINPZYLXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-26(18-10-3-2-4-11-18)13-6-5-12-24-19(27)15-25-17-9-7-8-16(14-17)20(21,22)23/h2-4,7-11,14,25H,5-6,12-13,15H2,1H3,(H,24,27).
What are the key properties of N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 379.43 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56552750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).