2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide

C14H17F3N2O4 — CID 108934768

IUPAC2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H17F3N2O4/c1-22-9-5-3-6-10(23-2)11(9)12(20)18-7-4-8-19-13(21)14(15,16)17/h3,5-6H,4,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAEJNTPUEQVUAFZ-UHFFFAOYSA-N
MW334.29 g/mol
LogP1.50
Rot. Bonds7

About 2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide

2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide (PubChem CID 108934768) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
PubChem CID108934768
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC Name2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H17F3N2O4/c1-22-9-5-3-6-10(23-2)11(9)12(20)18-7-4-8-19-13(21)14(15,16)17/h3,5-6H,4,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAEJNTPUEQVUAFZ-UHFFFAOYSA-N
XLogP1.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934760
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
N-(3-cyanopropyl)-2,6-dimethoxybenzamide
CID 62666063
N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide
CID 65434428
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538277
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933413
N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide
CID 84579023
N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide
CID 107321246
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide (CID 108934768) is 2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide is COc1cccc(OC)c1C(=O)NCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide?
The InChIKey is AEJNTPUEQVUAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c1-22-9-5-3-6-10(23-2)11(9)12(20)18-7-4-8-19-13(21)14(15,16)17/h3,5-6H,4,7-8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide?
2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide has a molecular weight of 334.29 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide is sourced from PubChem (CID 108934768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).