4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide

C16H16FNO3 — CID 103945331

IUPAC4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N[C@H](CO)c2ccccc2)ccc1F
InChIInChI=1S/C16H16FNO3/c1-21-15-9-12(7-8-13(15)17)16(20)18-14(10-19)11-5-3-2-4-6-11/h2-9,14,19H,10H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyHYUINEBLJYABAP-CQSZACIVSA-N
MW289.31 g/mol
LogP2.30
Rot. Bonds5

About 4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide

4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide (PubChem CID 103945331) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
PubChem CID103945331
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N[C@H](CO)c2ccccc2)ccc1F
InChIInChI=1S/C16H16FNO3/c1-21-15-9-12(7-8-13(15)17)16(20)18-14(10-19)11-5-3-2-4-6-11/h2-9,14,19H,10H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyHYUINEBLJYABAP-CQSZACIVSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
CID 81289414
3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide
CID 63182178
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283790
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide
CID 86779379
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide?
The IUPAC name of 4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide (CID 103945331) is 4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide?
The canonical SMILES for 4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide is COc1cc(C(=O)N[C@H](CO)c2ccccc2)ccc1F.
What is the InChIKey of 4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide?
The InChIKey is HYUINEBLJYABAP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-21-15-9-12(7-8-13(15)17)16(20)18-14(10-19)11-5-3-2-4-6-11/h2-9,14,19H,10H2,1H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide?
4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide has a molecular weight of 289.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide is sourced from PubChem (CID 103945331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).