2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide

C19H20F3NO3 — CID 58007726

IUPAC2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCCCCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(N)=O
InChIInChI=1S/C19H20F3NO3/c1-2-3-4-11-25-17-10-7-14(12-16(17)18(23)24)13-5-8-15(9-6-13)26-19(20,21)22/h5-10,12H,2-4,11H2,1H3,(H2,23,24)
InChIKeySUOCWWQDCGIEGX-UHFFFAOYSA-N
MW367.37 g/mol
LogP4.92
Rot. Bonds8

About 2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide

2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 58007726) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID58007726
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCCCCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(N)=O
InChIInChI=1S/C19H20F3NO3/c1-2-3-4-11-25-17-10-7-14(12-16(17)18(23)24)13-5-8-15(9-6-13)26-19(20,21)22/h5-10,12H,2-4,11H2,1H3,(H2,23,24)
InChIKeySUOCWWQDCGIEGX-UHFFFAOYSA-N
XLogP4.92
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide (CID 58007726) is 2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide is CCCCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(N)=O.
What is the InChIKey of 2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is SUOCWWQDCGIEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-2-3-4-11-25-17-10-7-14(12-16(17)18(23)24)13-5-8-15(9-6-13)26-19(20,21)22/h5-10,12H,2-4,11H2,1H3,(H2,23,24).
What are the key properties of 2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide?
2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 367.37 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-5-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 58007726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).