N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide

C13H17F3N2O — CID 62651047

IUPACN-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide
SMILESCCC(CCN)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-2-9(7-8-17)18-12(19)10-5-3-4-6-11(10)13(14,15)16/h3-6,9H,2,7-8,17H2,1H3,(H,18,19)
InChIKeyZSUHBIZUIVOQGB-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.56
Rot. Bonds5

About N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide

N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide (PubChem CID 62651047) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide
PubChem CID62651047
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide
SMILESCCC(CCN)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-2-9(7-8-17)18-12(19)10-5-3-4-6-11(10)13(14,15)16/h3-6,9H,2,7-8,17H2,1H3,(H,18,19)
InChIKeyZSUHBIZUIVOQGB-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide
CID 3613944
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide
CID 79749483
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-2-(trifluoromethyl)benzamide
CID 173093170
2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 113351911
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 2324672
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 103716638
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide
CID 79885627
N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide
CID 91775087
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 2573137

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide (CID 62651047) is N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide is CCC(CCN)NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is ZSUHBIZUIVOQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-2-9(7-8-17)18-12(19)10-5-3-4-6-11(10)13(14,15)16/h3-6,9H,2,7-8,17H2,1H3,(H,18,19).
What are the key properties of N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide?
N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 274.29 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 62651047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).