N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide

C13H17F3N2O2 — CID 106243205

IUPACN-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide
SMILESCOCC(N)CCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c1-20-8-11(17)5-6-18-12(19)9-3-2-4-10(7-9)13(14,15)16/h2-4,7,11H,5-6,8,17H2,1H3,(H,18,19)
InChIKeyRWTMINIWIIBBPS-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.80
Rot. Bonds6

About N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide

N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide (PubChem CID 106243205) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide
PubChem CID106243205
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide
SMILESCOCC(N)CCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c1-20-8-11(17)5-6-18-12(19)9-3-2-4-10(7-9)13(14,15)16/h2-4,7,11H,5-6,8,17H2,1H3,(H,18,19)
InChIKeyRWTMINIWIIBBPS-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-(3-amino-4-methoxybutyl)-3-fluorobenzamide
CID 106243471
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 106157920
N-(3-amino-4-methoxybutyl)naphthalene-2-carboxamide
CID 106243297
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106307969
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide
CID 106243059
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
CID 61068183

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide (CID 106243205) is N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide is COCC(N)CCNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide?
The InChIKey is RWTMINIWIIBBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-20-8-11(17)5-6-18-12(19)9-3-2-4-10(7-9)13(14,15)16/h2-4,7,11H,5-6,8,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide?
N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide has a molecular weight of 290.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 106243205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).