3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide

C17H18FNO3 — CID 86264345

IUPAC3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)Cc2ccccc2)cc1F
InChIInChI=1S/C17H18FNO3/c1-22-16-8-7-13(10-15(16)18)17(21)19-11-14(20)9-12-5-3-2-4-6-12/h2-8,10,14,20H,9,11H2,1H3,(H,19,21)
InChIKeyVUNQBMKWIDJNOE-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.17
Rot. Bonds6

About 3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide

3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide (PubChem CID 86264345) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide
PubChem CID86264345
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)Cc2ccccc2)cc1F
InChIInChI=1S/C17H18FNO3/c1-22-16-8-7-13(10-15(16)18)17(21)19-11-14(20)9-12-5-3-2-4-6-12/h2-8,10,14,20H,9,11H2,1H3,(H,19,21)
InChIKeyVUNQBMKWIDJNOE-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide
CID 56765275
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid
CID 119184092
N-(3-chloro-2-methylpropyl)-3-fluoro-4-methoxybenzamide
CID 114302762
3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide
CID 86264357
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide
CID 106288554

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide (CID 86264345) is 3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide is COc1ccc(C(=O)NCC(O)Cc2ccccc2)cc1F.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide?
The InChIKey is VUNQBMKWIDJNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-22-16-8-7-13(10-15(16)18)17(21)19-11-14(20)9-12-5-3-2-4-6-12/h2-8,10,14,20H,9,11H2,1H3,(H,19,21).
What are the key properties of 3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide?
3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide has a molecular weight of 303.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide is sourced from PubChem (CID 86264345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).