N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide

C16H14F3NO3 — CID 531811

IUPACN-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H14F3NO3/c1-22-12-6-7-14(23-2)13(9-12)20-15(21)10-4-3-5-11(8-10)16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyXOZUAHXGRAXOAD-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.97
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide

N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 531811) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
PubChem CID531811
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H14F3NO3/c1-22-12-6-7-14(23-2)13(9-12)20-15(21)10-4-3-5-11(8-10)16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyXOZUAHXGRAXOAD-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55345310
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 4880939
3-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056868
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
3-methoxy-N-[3-[[[3-(trifluoromethyl)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 126228131
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1341626
3-iodo-4-methoxy-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 43878187
N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide
CID 7918318
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 94788763

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide (CID 531811) is N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide is COc1ccc(OC)c(NC(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is XOZUAHXGRAXOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-22-12-6-7-14(23-2)13(9-12)20-15(21)10-4-3-5-11(8-10)16(17,18)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide?
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 325.29 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 531811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).