3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C19H16F7NO2 — CID 5122085

IUPAC3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C19H16F7NO2/c20-17(21)18(22,23)11-29-10-13-4-1-5-14(7-13)16(28)27-9-12-3-2-6-15(8-12)19(24,25)26/h1-8,17H,9-11H2,(H,27,28)
InChIKeySUMJJARYIVJYMQ-UHFFFAOYSA-N
MW423.33 g/mol
LogP5.05
Rot. Bonds8

About 3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 5122085) has the molecular formula C19H16F7NO2 and a molecular weight of 423.33 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID5122085
Molecular FormulaC19H16F7NO2
Molecular Weight423.33 g/mol
Exact Mass423.11
IUPAC Name3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C19H16F7NO2/c20-17(21)18(22,23)11-29-10-13-4-1-5-14(7-13)16(28)27-9-12-3-2-6-15(8-12)19(24,25)26/h1-8,17H,9-11H2,(H,27,28)
InChIKeySUMJJARYIVJYMQ-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.33
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 5131781
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CID 891620
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CID 2941650
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CID 1223091
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CID 1223159
CID 1223159
CID 4193806
CID 4193806
CID 5461831
CID 5461831
CID 57403173
CID 57403173
CID 127040586
CID 127040586
CID 7603142
CID 7603142
CID 1765609
CID 1765609
CID 22310468
CID 22310468

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 5122085) is 3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(COCC(F)(F)C(F)F)c1.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is SUMJJARYIVJYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F7NO2/c20-17(21)18(22,23)11-29-10-13-4-1-5-14(7-13)16(28)27-9-12-3-2-6-15(8-12)19(24,25)26/h1-8,17H,9-11H2,(H,27,28).
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 423.33 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 5122085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).