3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C17H16F3NO — CID 174701128

IUPAC3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCc1cc(C(N)=O)ccc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO/c1-2-12-10-14(16(21)22)6-5-13(12)9-11-3-7-15(8-4-11)17(18,19)20/h3-8,10H,2,9H2,1H3,(H2,21,22)
InChIKeyZLDJAKKEDPEMDA-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.96
Rot. Bonds4

About 3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide

3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 174701128) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is 3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID174701128
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCc1cc(C(N)=O)ccc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO/c1-2-12-10-14(16(21)22)6-5-13(12)9-11-3-7-15(8-4-11)17(18,19)20/h3-8,10H,2,9H2,1H3,(H2,21,22)
InChIKeyZLDJAKKEDPEMDA-UHFFFAOYSA-N
XLogP3.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 174701128) is 3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide is CCc1cc(C(N)=O)ccc1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is ZLDJAKKEDPEMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-2-12-10-14(16(21)22)6-5-13(12)9-11-3-7-15(8-4-11)17(18,19)20/h3-8,10H,2,9H2,1H3,(H2,21,22).
What are the key properties of 3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 307.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 174701128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).