2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide

C16H16FNO3 — CID 104696636

IUPAC2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
SMILESO=C(NC(CO)Cc1ccccc1)c1ccc(O)cc1F
InChIInChI=1S/C16H16FNO3/c17-15-9-13(20)6-7-14(15)16(21)18-12(10-19)8-11-4-2-1-3-5-11/h1-7,9,12,19-20H,8,10H2,(H,18,21)
InChIKeyMZCICZPQFDSTGP-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.86
Rot. Bonds5

About 2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide

2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide (PubChem CID 104696636) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
PubChem CID104696636
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
SMILESO=C(NC(CO)Cc1ccccc1)c1ccc(O)cc1F
InChIInChI=1S/C16H16FNO3/c17-15-9-13(20)6-7-14(15)16(21)18-12(10-19)8-11-4-2-1-3-5-11/h1-7,9,12,19-20H,8,10H2,(H,18,21)
InChIKeyMZCICZPQFDSTGP-UHFFFAOYSA-N
XLogP1.86
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887
4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 84592943
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
4-chloro-2,5-difluoro-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 122147380
4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673615
N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
CID 63754320
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 107861282
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 97331257

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide (CID 104696636) is 2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide is O=C(NC(CO)Cc1ccccc1)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
The InChIKey is MZCICZPQFDSTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-15-9-13(20)6-7-14(15)16(21)18-12(10-19)8-11-4-2-1-3-5-11/h1-7,9,12,19-20H,8,10H2,(H,18,21).
What are the key properties of 2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide has a molecular weight of 289.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 104696636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).