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

C14H19F3N2O — CID 60703977

IUPACN-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
SMILESCCCCNC(=O)CNc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-3-4-7-18-13(20)9-19-11-6-5-10(2)12(8-11)14(15,16)17/h5-6,8,19H,3-4,7,9H2,1-2H3,(H,18,20)
InChIKeyYBUSHEYOEQXCFC-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.34
Rot. Bonds6

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

N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 60703977) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID60703977
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
SMILESCCCCNC(=O)CNc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-3-4-7-18-13(20)9-19-11-6-5-10(2)12(8-11)14(15,16)17/h5-6,8,19H,3-4,7,9H2,1-2H3,(H,18,20)
InChIKeyYBUSHEYOEQXCFC-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60721340
2-(4-bromo-3-fluoroanilino)-N-butylacetamide
CID 65437727
N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 54940880
2-(4-bromoanilino)-N-butylacetamide
CID 39385109
N-butyl-2-(3,4-diethoxyanilino)acetamide
CID 60672654
N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580967
N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 55476313
N-(2-acetylphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580969
2-(4-ethyl-3-methylanilino)-N-propylacetamide
CID 113346217
3,3-dimethyl-N-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]butanamide
CID 60565767
ethyl 4-[[2-(butylamino)-2-oxoethyl]amino]benzoate
CID 86908699
N-butyl-2-(4-fluoro-2-methylanilino)acetamide
CID 60672489

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide (CID 60703977) is N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide is CCCCNC(=O)CNc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is YBUSHEYOEQXCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-4-7-18-13(20)9-19-11-6-5-10(2)12(8-11)14(15,16)17/h5-6,8,19H,3-4,7,9H2,1-2H3,(H,18,20).
What are the key properties of N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 288.31 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 60703977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).