2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide

C17H16F3NO2 — CID 71214986

IUPAC2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCCOc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(N)=O
InChIInChI=1S/C17H16F3NO2/c1-2-9-23-15-8-5-12(10-14(15)16(21)22)11-3-6-13(7-4-11)17(18,19)20/h3-8,10H,2,9H2,1H3,(H2,21,22)
InChIKeyHBEDWTPBXKSUSY-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.26
Rot. Bonds5

About 2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide

2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 71214986) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID71214986
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCCOc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(N)=O
InChIInChI=1S/C17H16F3NO2/c1-2-9-23-15-8-5-12(10-14(15)16(21)22)11-3-6-13(7-4-11)17(18,19)20/h3-8,10H,2,9H2,1H3,(H2,21,22)
InChIKeyHBEDWTPBXKSUSY-UHFFFAOYSA-N
XLogP4.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3282
Exalamide
CID 3316
Enmd-1198
CID 11483754
2-(3-Buten-1-yloxy)benzamide
CID 2728050
Etosalamide
CID 208946
5-(4-Cyanophenyl)-3-[(Propan-2-Yl)oxy]naphthalene-2-Carboxamide
CID 126970816
2-Propoxybenzamide
CID 43051
Benzamide, o-butoxy-
CID 43269
2-Allyloxybenzamide
CID 84488
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CID 18740353
Pentalamide
CID 71661
2-Isopropoxybenzamide
CID 2728161

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide (CID 71214986) is 2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide is CCCOc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(N)=O.
What is the InChIKey of 2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HBEDWTPBXKSUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-2-9-23-15-8-5-12(10-14(15)16(21)22)11-3-6-13(7-4-11)17(18,19)20/h3-8,10H,2,9H2,1H3,(H2,21,22).
What are the key properties of 2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide?
2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 323.31 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-5-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 71214986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).