N-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide

C16H13F2NO2 — CID 134837320

IUPACN-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide
SMILESO=C[C@@](NC(=O)c1ccccc1)(c1ccccc1)C(F)F
InChIInChI=1S/C16H13F2NO2/c17-15(18)16(11-20,13-9-5-2-6-10-13)19-14(21)12-7-3-1-4-8-12/h1-11,15H,(H,19,21)/t16-/m1/s1
InChIKeyQDCAUPWGBYESRY-MRXNPFEDSA-N
MW289.28 g/mol
LogP2.78
Rot. Bonds5

About N-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide

N-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide (PubChem CID 134837320) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is N-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide
PubChem CID134837320
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC NameN-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide
SMILESO=C[C@@](NC(=O)c1ccccc1)(c1ccccc1)C(F)F
InChIInChI=1S/C16H13F2NO2/c17-15(18)16(11-20,13-9-5-2-6-10-13)19-14(21)12-7-3-1-4-8-12/h1-11,15H,(H,19,21)/t16-/m1/s1
InChIKeyQDCAUPWGBYESRY-MRXNPFEDSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide (CID 134837320) is N-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide is O=C[C@@](NC(=O)c1ccccc1)(c1ccccc1)C(F)F.
What is the InChIKey of N-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide?
The InChIKey is QDCAUPWGBYESRY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-15(18)16(11-20,13-9-5-2-6-10-13)19-14(21)12-7-3-1-4-8-12/h1-11,15H,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide?
N-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide has a molecular weight of 289.28 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,1-difluoro-3-oxo-2-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 134837320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).