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

C14H19F3N2O — CID 109006214

IUPACN-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide
SMILESCCCCN(C)C(=O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-3-4-9-19(2)13(20)10-18-12-8-6-5-7-11(12)14(15,16)17/h5-8,18H,3-4,9-10H2,1-2H3
InChIKeyPWTYHPMRSFQCOL-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.38
Rot. Bonds6

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

N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide (PubChem CID 109006214) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide
PubChem CID109006214
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide
SMILESCCCCN(C)C(=O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-3-4-9-19(2)13(20)10-18-12-8-6-5-7-11(12)14(15,16)17/h5-8,18H,3-4,9-10H2,1-2H3
InChIKeyPWTYHPMRSFQCOL-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[[2-[butyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 109006261
2-[2-(trifluoromethyl)anilino]acetic acid
CID 21238931
N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109240301
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 62315286
N-butyl-3-(2-fluoroanilino)-N-methylpropanamide
CID 109032361
N-butyl-2-(4-chloro-2-methylanilino)-N-methylacetamide
CID 109006202
(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide
CID 7321292
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(trifluoromethyl)anilino]acetamide
CID 109003538
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995346
2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005975
1-[2-(trifluoromethyl)anilino]butan-2-ol
CID 60887085
N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 62312600

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide (CID 109006214) is N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide is CCCCN(C)C(=O)CNc1ccccc1C(F)(F)F.
What is the InChIKey of N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide?
The InChIKey is PWTYHPMRSFQCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-4-9-19(2)13(20)10-18-12-8-6-5-7-11(12)14(15,16)17/h5-8,18H,3-4,9-10H2,1-2H3.
What are the key properties of N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide?
N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide has a molecular weight of 288.31 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 109006214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).