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

C13H15F3N2O3 — CID 108934760

IUPAC2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-21-10-6-3-2-5-9(10)11(19)17-7-4-8-18-12(20)13(14,15)16/h2-3,5-6H,4,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyISMHPQDJJRLZAX-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.49
Rot. Bonds6

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

2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide (PubChem CID 108934760) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
PubChem CID108934760
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-21-10-6-3-2-5-9(10)11(19)17-7-4-8-18-12(20)13(14,15)16/h2-3,5-6H,4,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyISMHPQDJJRLZAX-UHFFFAOYSA-N
XLogP1.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934768
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108538118
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
2-methoxy-N-tridecylbenzamide
CID 139819873
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
2-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 47101310
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
CID 104857085

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide (CID 108934760) is 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide is COc1ccccc1C(=O)NCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide?
The InChIKey is ISMHPQDJJRLZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-21-10-6-3-2-5-9(10)11(19)17-7-4-8-18-12(20)13(14,15)16/h2-3,5-6H,4,7-8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide?
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide has a molecular weight of 304.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide is sourced from PubChem (CID 108934760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).