N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide

C11H13F3N2O2 — CID 116629079

IUPACN-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
SMILESCC(N)CNC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c1-7(15)6-16-10(17)8-2-4-9(5-3-8)18-11(12,13)14/h2-5,7H,6,15H2,1H3,(H,16,17)
InChIKeyYPZVHSLMKSQGOY-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.66
Rot. Bonds4

About N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide

N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide (PubChem CID 116629079) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
PubChem CID116629079
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
SMILESCC(N)CNC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c1-7(15)6-16-10(17)8-2-4-9(5-3-8)18-11(12,13)14/h2-5,7H,6,15H2,1H3,(H,16,17)
InChIKeyYPZVHSLMKSQGOY-UHFFFAOYSA-N
XLogP1.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
N-(2-aminopropyl)-4-butoxybenzamide
CID 63732303
4-amino-N-(2-aminopropyl)benzamide
CID 130891998
N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide
CID 43001663
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
CID 21452885
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 111441258
N-prop-2-enyl-4-(trifluoromethoxy)benzamide
CID 22616308
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628724
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethoxy)benzamide
CID 99876145
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide (CID 116629079) is N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide is CC(N)CNC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is YPZVHSLMKSQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-7(15)6-16-10(17)8-2-4-9(5-3-8)18-11(12,13)14/h2-5,7H,6,15H2,1H3,(H,16,17).
What are the key properties of N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide?
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 262.23 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116629079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).