4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide

C15H12F3NO3 — CID 2678249

IUPAC4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NO3/c1-21-12-6-2-10(3-7-12)14(20)19-11-4-8-13(9-5-11)22-15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyKDUXOVMSANXPTK-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.85
Rot. Bonds4

About 4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide

4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 2678249) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID2678249
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NO3/c1-21-12-6-2-10(3-7-12)14(20)19-11-4-8-13(9-5-11)22-15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyKDUXOVMSANXPTK-UHFFFAOYSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 51191579
4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
CID 4852669
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 16552258
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
CID 3323954
[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate
CID 3848312

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 2678249) is 4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is KDUXOVMSANXPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-21-12-6-2-10(3-7-12)14(20)19-11-4-8-13(9-5-11)22-15(16,17)18/h2-9H,1H3,(H,19,20).
What are the key properties of 4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide?
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 311.26 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 2678249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).