2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide

C16H17NO4 — CID 102673829

IUPAC2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1cccc(O)c1O
InChIInChI=1S/C16H17NO4/c18-10-12(9-11-5-2-1-3-6-11)17-16(21)13-7-4-8-14(19)15(13)20/h1-8,12,18-20H,9-10H2,(H,17,21)/t12-/m0/s1
InChIKeyKBRWBYJFONUXMK-LBPRGKRZSA-N
MW287.32 g/mol
LogP1.43
Rot. Bonds5

About 2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide

2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide (PubChem CID 102673829) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
PubChem CID102673829
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1cccc(O)c1O
InChIInChI=1S/C16H17NO4/c18-10-12(9-11-5-2-1-3-6-11)17-16(21)13-7-4-8-14(19)15(13)20/h1-8,12,18-20H,9-10H2,(H,17,21)/t12-/m0/s1
InChIKeyKBRWBYJFONUXMK-LBPRGKRZSA-N
XLogP1.43
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673615
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388
2-benzoyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 21190791
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857
2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 104696636
2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860587
3-bromo-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 102673913
3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861450
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 2324672
N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide
CID 114311235

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide (CID 102673829) is 2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide is O=C(N[C@H](CO)Cc1ccccc1)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The InChIKey is KBRWBYJFONUXMK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17NO4/c18-10-12(9-11-5-2-1-3-6-11)17-16(21)13-7-4-8-14(19)15(13)20/h1-8,12,18-20H,9-10H2,(H,17,21)/t12-/m0/s1.
What are the key properties of 2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide has a molecular weight of 287.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 102673829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).