2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide

C17H15F3N2O3 — CID 28918889

IUPAC2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H15F3N2O3/c1-25-13-5-3-2-4-10(13)17(24)21-9-8-14(23)22-12-7-6-11(18)15(19)16(12)20/h2-7H,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyBATGIRZUURIXDP-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.87
Rot. Bonds6

About 2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide

2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide (PubChem CID 28918889) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
PubChem CID28918889
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H15F3N2O3/c1-25-13-5-3-2-4-10(13)17(24)21-9-8-14(23)22-12-7-6-11(18)15(19)16(12)20/h2-7H,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyBATGIRZUURIXDP-UHFFFAOYSA-N
XLogP2.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
CID 26500169
N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide
CID 28918895
2-ethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 26358716
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
2-methoxy-N-[3-oxo-3-(quinolin-8-ylamino)propyl]benzamide
CID 38266767
2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide
CID 43000358
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide
CID 113064434
2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide
CID 18155036
2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide
CID 4843806
2-methoxy-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 24685535
3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 26358946
N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 86926661

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide (CID 28918889) is 2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide is COc1ccccc1C(=O)NCCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide?
The InChIKey is BATGIRZUURIXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-25-13-5-3-2-4-10(13)17(24)21-9-8-14(23)22-12-7-6-11(18)15(19)16(12)20/h2-7H,8-9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide?
2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide has a molecular weight of 352.31 g/mol, XLogP of 2.87, 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-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide is sourced from PubChem (CID 28918889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).