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

C17H15F3N2O4 — CID 108933413

IUPAC2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C17H15F3N2O4/c1-25-12-8-5-9-13(26-2)14(12)15(23)21-10-6-3-4-7-11(10)22-16(24)17(18,19)20/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyBOOZKULFODIWTA-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.46
Rot. Bonds5

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

2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide (PubChem CID 108933413) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
PubChem CID108933413
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Name2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C17H15F3N2O4/c1-25-12-8-5-9-13(26-2)14(12)15(23)21-10-6-3-4-7-11(10)22-16(24)17(18,19)20/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyBOOZKULFODIWTA-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 156877036
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934768
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933228
N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide
CID 92646111
N-(2-bromophenyl)-2-fluoro-6-methoxybenzamide
CID 65432090
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
N-(2-chlorophenyl)-2-hydroxy-6-methoxybenzamide
CID 84579322
2,2,2-trifluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108933536
2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide
CID 22287395

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide (CID 108933413) is 2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of 2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide?
The InChIKey is BOOZKULFODIWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-25-12-8-5-9-13(26-2)14(12)15(23)21-10-6-3-4-7-11(10)22-16(24)17(18,19)20/h3-9H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide?
2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide has a molecular weight of 368.31 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 108933413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).