2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide

C14H19F3N2O — CID 115738184

IUPAC2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide
SMILESCCC(CC)CNC(=O)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C14H19F3N2O/c1-3-9(4-2)8-19-13(20)11-7-10(14(15,16)17)5-6-12(11)18/h5-7,9H,3-4,8,18H2,1-2H3,(H,19,20)
InChIKeySWMFGZMJLIVDCL-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.45
Rot. Bonds5

About 2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide

2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide (PubChem CID 115738184) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide
PubChem CID115738184
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide
SMILESCCC(CC)CNC(=O)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C14H19F3N2O/c1-3-9(4-2)8-19-13(20)11-7-10(14(15,16)17)5-6-12(11)18/h5-7,9H,3-4,8,18H2,1-2H3,(H,19,20)
InChIKeySWMFGZMJLIVDCL-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 70098587
butan-2-yl 2-amino-5-(trifluoromethyl)benzoate
CID 66270108
2-amino-N-[2-[[(2S,3S)-1-amino-3-hydroxyhexan-2-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
CID 69195960
2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide
CID 107076071
methyl 2-bromo-3-[[2-bromo-5-(trifluoromethyl)benzoyl]amino]propanoate
CID 103492494
2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 103819616
2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide
CID 83142426
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 115987269
N-(4-bromo-2-ethylbutyl)-3-(trifluoromethyl)benzamide
CID 114317719
propyl 2-amino-5-(trifluoromethyl)benzoate
CID 66270281
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 167264759

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide (CID 115738184) is 2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide is CCC(CC)CNC(=O)c1cc(C(F)(F)F)ccc1N.
What is the InChIKey of 2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide?
The InChIKey is SWMFGZMJLIVDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-9(4-2)8-19-13(20)11-7-10(14(15,16)17)5-6-12(11)18/h5-7,9H,3-4,8,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide?
2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide has a molecular weight of 288.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 115738184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).