3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C15H14F2N2O2 — CID 107861743

IUPAC3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1ccc(F)c(C(=O)N[C@H](CO)c2ccccc2)c1F
InChIInChI=1S/C15H14F2N2O2/c16-10-6-7-11(18)14(17)13(10)15(21)19-12(8-20)9-4-2-1-3-5-9/h1-7,12,20H,8,18H2,(H,19,21)/t12-/m1/s1
InChIKeyWUPUAFZNSGLEOT-GFCCVEGCSA-N
MW292.29 g/mol
LogP2.01
Rot. Bonds4

About 3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 107861743) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID107861743
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1ccc(F)c(C(=O)N[C@H](CO)c2ccccc2)c1F
InChIInChI=1S/C15H14F2N2O2/c16-10-6-7-11(18)14(17)13(10)15(21)19-12(8-20)9-4-2-1-3-5-9/h1-7,12,20H,8,18H2,(H,19,21)/t12-/m1/s1
InChIKeyWUPUAFZNSGLEOT-GFCCVEGCSA-N
XLogP2.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide
CID 79760394
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
CID 63184679
3-amino-5-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzamide
CID 107861714
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 58736733
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 107861743) is 3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is Nc1ccc(F)c(C(=O)N[C@H](CO)c2ccccc2)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is WUPUAFZNSGLEOT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-10-6-7-11(18)14(17)13(10)15(21)19-12(8-20)9-4-2-1-3-5-9/h1-7,12,20H,8,18H2,(H,19,21)/t12-/m1/s1.
What are the key properties of 3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 292.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 107861743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).