3,4,5-trifluoro-N-(2-propylphenyl)benzamide

C16H14F3NO — CID 63188626

IUPAC3,4,5-trifluoro-N-(2-propylphenyl)benzamide
SMILESCCCc1ccccc1NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H14F3NO/c1-2-5-10-6-3-4-7-14(10)20-16(21)11-8-12(17)15(19)13(18)9-11/h3-4,6-9H,2,5H2,1H3,(H,20,21)
InChIKeyRDKPUCSEFBKQOY-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.31
Rot. Bonds4

About 3,4,5-trifluoro-N-(2-propylphenyl)benzamide

3,4,5-trifluoro-N-(2-propylphenyl)benzamide (PubChem CID 63188626) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(2-propylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(2-propylphenyl)benzamide
PubChem CID63188626
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name3,4,5-trifluoro-N-(2-propylphenyl)benzamide
SMILESCCCc1ccccc1NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H14F3NO/c1-2-5-10-6-3-4-7-14(10)20-16(21)11-8-12(17)15(19)13(18)9-11/h3-4,6-9H,2,5H2,1H3,(H,20,21)
InChIKeyRDKPUCSEFBKQOY-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-fluoro-N-(2-propylphenyl)benzamide
CID 103706788
3,5-diacetamido-N-(2-propylphenyl)benzamide
CID 31869884
2-fluoro-4-methyl-N-(2-propylphenyl)benzamide
CID 79778827
N-(2-propylphenyl)-3-sulfanylbenzamide
CID 107025770
4-hydroxy-3-methyl-N-(2-propylphenyl)benzamide
CID 103956497
4-(bromomethyl)-N-(2-propylphenyl)benzamide
CID 102851108
3-amino-4-chloro-N-(2-propylphenyl)benzamide
CID 43703947
4-fluoro-2-methyl-N-(2-propylphenyl)benzamide
CID 115745651
2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
CID 31870056
1-methyl-2-oxo-N-(2-propylphenyl)pyridine-4-carboxamide
CID 31870618
ethane;N-(2-propylphenyl)acetamide
CID 142804217
5-methyl-2-(methylamino)-N-(2-propylphenyl)benzamide
CID 62509909

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(2-propylphenyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-(2-propylphenyl)benzamide (CID 63188626) is 3,4,5-trifluoro-N-(2-propylphenyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(2-propylphenyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-(2-propylphenyl)benzamide is CCCc1ccccc1NC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-(2-propylphenyl)benzamide?
The InChIKey is RDKPUCSEFBKQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-2-5-10-6-3-4-7-14(10)20-16(21)11-8-12(17)15(19)13(18)9-11/h3-4,6-9H,2,5H2,1H3,(H,20,21).
What are the key properties of 3,4,5-trifluoro-N-(2-propylphenyl)benzamide?
3,4,5-trifluoro-N-(2-propylphenyl)benzamide has a molecular weight of 293.29 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(2-propylphenyl)benzamide is sourced from PubChem (CID 63188626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).