2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide

C14H11F3N2O2 — CID 175928443

IUPAC2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide
SMILESCOc1c(C(N)=O)ccc(C(F)(F)F)c1-c1ccncc1
InChIInChI=1S/C14H11F3N2O2/c1-21-12-9(13(18)20)2-3-10(14(15,16)17)11(12)8-4-6-19-7-5-8/h2-7H,1H3,(H2,18,20)
InChIKeyNXIUNZZNUUWAOV-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.87
Rot. Bonds3

About 2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide

2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide (PubChem CID 175928443) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide
PubChem CID175928443
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide
SMILESCOc1c(C(N)=O)ccc(C(F)(F)F)c1-c1ccncc1
InChIInChI=1S/C14H11F3N2O2/c1-21-12-9(13(18)20)2-3-10(14(15,16)17)11(12)8-4-6-19-7-5-8/h2-7H,1H3,(H2,18,20)
InChIKeyNXIUNZZNUUWAOV-UHFFFAOYSA-N
XLogP2.87
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide (CID 175928443) is 2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide is COc1c(C(N)=O)ccc(C(F)(F)F)c1-c1ccncc1.
What is the InChIKey of 2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide?
The InChIKey is NXIUNZZNUUWAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-21-12-9(13(18)20)2-3-10(14(15,16)17)11(12)8-4-6-19-7-5-8/h2-7H,1H3,(H2,18,20).
What are the key properties of 2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide?
2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide has a molecular weight of 296.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 175928443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).