5-methoxy-2,3-bis(trifluoromethyl)benzamide

C10H7F6NO2 — CID 118854542

IUPAC5-methoxy-2,3-bis(trifluoromethyl)benzamide
SMILESCOc1cc(C(N)=O)c(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C10H7F6NO2/c1-19-4-2-5(8(17)18)7(10(14,15)16)6(3-4)9(11,12)13/h2-3H,1H3,(H2,17,18)
InChIKeyVACQFIKSDYRPDT-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.83
Rot. Bonds2

About 5-methoxy-2,3-bis(trifluoromethyl)benzamide

5-methoxy-2,3-bis(trifluoromethyl)benzamide (PubChem CID 118854542) has the molecular formula C10H7F6NO2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-methoxy-2,3-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-methoxy-2,3-bis(trifluoromethyl)benzamide
PubChem CID118854542
Molecular FormulaC10H7F6NO2
Molecular Weight287.16 g/mol
Exact Mass287.04
IUPAC Name5-methoxy-2,3-bis(trifluoromethyl)benzamide
SMILESCOc1cc(C(N)=O)c(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C10H7F6NO2/c1-19-4-2-5(8(17)18)7(10(14,15)16)6(3-4)9(11,12)13/h2-3H,1H3,(H2,17,18)
InChIKeyVACQFIKSDYRPDT-UHFFFAOYSA-N
XLogP2.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-5-methoxy-3-(trifluoromethyl)benzamide
CID 171031275
1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84796758
1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84706488
1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 119022399
1-[4-methoxy-2,6-bis(trifluoromethyl)phenyl]ethanone
CID 134640576
[5-methoxy-2,3-bis(trifluoromethyl)phenyl]methanamine
CID 134617609
5-chloro-2-methoxy-4-(trifluoromethyl)benzamide
CID 171007477
methyl 4-methoxy-2,6-bis(trifluoromethyl)benzoate
CID 15370697
4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085
6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2775313
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
1,3,5-trimethoxybenzene;urea
CID 174919725

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-bis(trifluoromethyl)benzamide?
The IUPAC name of 5-methoxy-2,3-bis(trifluoromethyl)benzamide (CID 118854542) is 5-methoxy-2,3-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 5-methoxy-2,3-bis(trifluoromethyl)benzamide?
The canonical SMILES for 5-methoxy-2,3-bis(trifluoromethyl)benzamide is COc1cc(C(N)=O)c(C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 5-methoxy-2,3-bis(trifluoromethyl)benzamide?
The InChIKey is VACQFIKSDYRPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO2/c1-19-4-2-5(8(17)18)7(10(14,15)16)6(3-4)9(11,12)13/h2-3H,1H3,(H2,17,18).
What are the key properties of 5-methoxy-2,3-bis(trifluoromethyl)benzamide?
5-methoxy-2,3-bis(trifluoromethyl)benzamide has a molecular weight of 287.16 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 118854542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).