2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide

C14H19F3N2O — CID 109005843

IUPAC2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)CCNCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-10(2)7-8-18-9-13(20)19-12-6-4-3-5-11(12)14(15,16)17/h3-6,10,18H,7-9H2,1-2H3,(H,19,20)
InChIKeyQBJHKJPOHNQRQT-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.28
Rot. Bonds6

About 2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 109005843) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID109005843
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)CCNCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-10(2)7-8-18-9-13(20)19-12-6-4-3-5-11(12)14(15,16)17/h3-6,10,18H,7-9H2,1-2H3,(H,19,20)
InChIKeyQBJHKJPOHNQRQT-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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

2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005975
2-[2-(4-methoxyphenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3226692
2-[1-(2-fluorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18086069
N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
CID 108953788
2-[2-methylpropyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113148570
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55909370
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108951939
2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide
CID 103604920

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 109005843) is 2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide is CC(C)CCNCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QBJHKJPOHNQRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10(2)7-8-18-9-13(20)19-12-6-4-3-5-11(12)14(15,16)17/h3-6,10,18H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 288.31 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 109005843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).