2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide

C13H17F3N2O3 — CID 115950778

IUPAC2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NCCCC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3/c1-20-8-6-9(11(17)10(7-8)21-2)12(19)18-5-3-4-13(14,15)16/h6-7H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyAVMFHDLODXYAIM-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.36
Rot. Bonds6

About 2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide

2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide (PubChem CID 115950778) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide.

Molecular Properties

Compound Name2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide
PubChem CID115950778
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)NCCCC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3/c1-20-8-6-9(11(17)10(7-8)21-2)12(19)18-5-3-4-13(14,15)16/h6-7H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyAVMFHDLODXYAIM-UHFFFAOYSA-N
XLogP2.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080
2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
CID 114266909
2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide
CID 115514769
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 112606081
2-bromo-5-methoxy-N-(5,5,5-trifluoropentyl)benzamide
CID 115491577
2-amino-3,5-dimethoxy-N-(3-methylpentan-3-yl)benzamide
CID 106327779
2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide
CID 115950742
2-amino-N-(5-hydroxypentan-2-yl)-3,5-dimethoxybenzamide
CID 115950760
2-(trifluoromethylsulfanyl)ethyl 2-amino-3,5-dimethoxybenzoate
CID 116617304
2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416343
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide?
The IUPAC name of 2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide (CID 115950778) is 2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide.
What is the SMILES notation for 2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide?
The canonical SMILES for 2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide is COc1cc(OC)c(N)c(C(=O)NCCCC(F)(F)F)c1.
What is the InChIKey of 2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide?
The InChIKey is AVMFHDLODXYAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-20-8-6-9(11(17)10(7-8)21-2)12(19)18-5-3-4-13(14,15)16/h6-7H,3-5,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide?
2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide has a molecular weight of 306.28 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide is sourced from PubChem (CID 115950778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).