2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide

C15H11F4NO — CID 2333383

IUPAC2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C15H11F4NO/c1-8(9-5-3-2-4-6-9)20-15(21)10-7-11(16)13(18)14(19)12(10)17/h2-8H,1H3,(H,20,21)/t8-/m0/s1
InChIKeyOMFNCCVYXYKSNC-QMMMGPOBSA-N
MW297.25 g/mol
LogP3.73
Rot. Bonds3

About 2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide

2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 2333383) has the molecular formula C15H11F4NO and a molecular weight of 297.25 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide
PubChem CID2333383
Molecular FormulaC15H11F4NO
Molecular Weight297.25 g/mol
Exact Mass297.08
IUPAC Name2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C15H11F4NO/c1-8(9-5-3-2-4-6-9)20-15(21)10-7-11(16)13(18)14(19)12(10)17/h2-8H,1H3,(H,20,21)/t8-/m0/s1
InChIKeyOMFNCCVYXYKSNC-QMMMGPOBSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 39359588
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
4-cyano-2-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 7393089
methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 151768789
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide (CID 2333383) is 2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is OMFNCCVYXYKSNC-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H11F4NO/c1-8(9-5-3-2-4-6-9)20-15(21)10-7-11(16)13(18)14(19)12(10)17/h2-8H,1H3,(H,20,21)/t8-/m0/s1.
What are the key properties of 2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide?
2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 297.25 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 2333383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).