2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide

C16H12F3NO4 — CID 150598517

IUPAC2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO4/c1-23-13-5-3-2-4-12(13)15(22)20-14(21)10-6-8-11(9-7-10)24-16(17,18)19/h2-9H,1H3,(H,20,21,22)
InChIKeyIRJMFTAMMKNTQM-UHFFFAOYSA-N
MW339.27 g/mol
LogP3.16
Rot. Bonds4

About 2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide

2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide (PubChem CID 150598517) has the molecular formula C16H12F3NO4 and a molecular weight of 339.27 g/mol. Its IUPAC name is 2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide
PubChem CID150598517
Molecular FormulaC16H12F3NO4
Molecular Weight339.27 g/mol
Exact Mass339.07
IUPAC Name2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO4/c1-23-13-5-3-2-4-12(13)15(22)20-14(21)10-6-8-11(9-7-10)24-16(17,18)19/h2-9H,1H3,(H,20,21,22)
InChIKeyIRJMFTAMMKNTQM-UHFFFAOYSA-N
XLogP3.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(2-oxo-2-phenylethyl)benzamide
CID 796649
4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
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Benzamide, N,N'-(2,2-dimethyl-1,3-propanediyl)bis(4-methoxy-
CID 2850150
3-(4-methoxyphenyl)-1,4-benzoxazepin-5(4H)-one
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2-hydroxy-N-[2-(2-methoxyphenyl)acetyl]benzamide
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CID 2815417
2-Methoxy-N-(phenylmethyl)benzamide
CID 700577
4-methoxy-N-(3-phenylpropyl)benzamide
CID 1744311
N-benzyl-4-methoxybenzamide
CID 346035
N-[(4-methoxyphenyl)methyl]benzamide
CID 3959383
2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide
CID 740401
2-[3-[[4-(Trifluoromethoxy)benzyl]carbamoyl]-4-methoxybenzyl]butyric acid
CID 10432525

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide (CID 150598517) is 2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide is COc1ccccc1C(=O)NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide?
The InChIKey is IRJMFTAMMKNTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO4/c1-23-13-5-3-2-4-12(13)15(22)20-14(21)10-6-8-11(9-7-10)24-16(17,18)19/h2-9H,1H3,(H,20,21,22).
What are the key properties of 2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide?
2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide has a molecular weight of 339.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(trifluoromethoxy)benzoyl]benzamide is sourced from PubChem (CID 150598517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).