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

C16H13F3N2O3 — CID 108933228

IUPAC2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O3/c1-24-13-8-3-2-7-12(13)14(22)20-10-5-4-6-11(9-10)21-15(23)16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyGQEYSFYFXDHIDF-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.45
Rot. Bonds4

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

2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide (PubChem CID 108933228) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
PubChem CID108933228
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O3/c1-24-13-8-3-2-7-12(13)14(22)20-10-5-4-6-11(9-10)21-15(23)16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyGQEYSFYFXDHIDF-UHFFFAOYSA-N
XLogP3.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide
CID 112988294
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
N-[3-(cyclopentanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880084
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880083
2-methoxy-N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 6084116
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90012211
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methoxybenzamide
CID 1188387
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide (CID 108933228) is 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide is COc1ccccc1C(=O)Nc1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide?
The InChIKey is GQEYSFYFXDHIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-24-13-8-3-2-7-12(13)14(22)20-10-5-4-6-11(9-10)21-15(23)16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide?
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide has a molecular weight of 338.29 g/mol, XLogP of 3.45, 4 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]phenyl]benzamide is sourced from PubChem (CID 108933228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).