4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride

C11H14ClF3N2O2 — CID 120588070

IUPAC4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1cc(F)c(F)cc1F.Cl
InChIInChI=1S/C11H13F3N2O2.ClH/c1-18-6(5-15)2-11(17)16-10-4-8(13)7(12)3-9(10)14;/h3-4,6H,2,5,15H2,1H3,(H,16,17);1H
InChIKeyGTKCWSLTGFSCHQ-UHFFFAOYSA-N
MW298.69 g/mol
LogP1.83
Rot. Bonds5

About 4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride

4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride (PubChem CID 120588070) has the molecular formula C11H14ClF3N2O2 and a molecular weight of 298.69 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride
PubChem CID120588070
Molecular FormulaC11H14ClF3N2O2
Molecular Weight298.69 g/mol
Exact Mass298.07
IUPAC Name4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1cc(F)c(F)cc1F.Cl
InChIInChI=1S/C11H13F3N2O2.ClH/c1-18-6(5-15)2-11(17)16-10-4-8(13)7(12)3-9(10)14;/h3-4,6H,2,5,15H2,1H3,(H,16,17);1H
InChIKeyGTKCWSLTGFSCHQ-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586484
4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide
CID 103155684
4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide
CID 120593617
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
CID 103154278
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
CID 120586930
4-amino-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide;hydrochloride
CID 120586978
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-4,5-dimethoxybenzoate
CID 120586654
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride
CID 120586582
4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide
CID 114227336
methyl 5-[3-(aminomethyl)pentanoylamino]-2,4-difluorobenzoate
CID 81070163
N-(2,4,5-trifluorophenyl)propanamide
CID 63372836

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride (CID 120588070) is 4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride is COC(CN)CC(=O)Nc1cc(F)c(F)cc1F.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride?
The InChIKey is GTKCWSLTGFSCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2.ClH/c1-18-6(5-15)2-11(17)16-10-4-8(13)7(12)3-9(10)14;/h3-4,6H,2,5,15H2,1H3,(H,16,17);1H.
What are the key properties of 4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride?
4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride has a molecular weight of 298.69 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride is sourced from PubChem (CID 120588070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).