N-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide

C16H16FNO2 — CID 110882762

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide
SMILESCc1cc(CNC(=O)C(O)c2ccccc2)ccc1F
InChIInChI=1S/C16H16FNO2/c1-11-9-12(7-8-14(11)17)10-18-16(20)15(19)13-5-3-2-4-6-13/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyUWSYPQFZKWNHAO-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.48
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide (PubChem CID 110882762) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide
PubChem CID110882762
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide
SMILESCc1cc(CNC(=O)C(O)c2ccccc2)ccc1F
InChIInChI=1S/C16H16FNO2/c1-11-9-12(7-8-14(11)17)10-18-16(20)15(19)13-5-3-2-4-6-13/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyUWSYPQFZKWNHAO-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23647917
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-methyl-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
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N-(2-hydroxy-2-phenylethyl)benzamide
CID 458553
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
D-erythro-MAPP
CID 124735
N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 744627
2-hydroxy-N-methyl-2-phenylacetamide
CID 572063
Secodemethylclausenamide
CID 70378439
(2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(2S)-1-hydroxy-5-phenylpentan-2-yl]propanamide
CID 9910028
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-hydroxymethyl-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10647553
(2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(2S)-1-hydroxy-4-phenylbutan-2-yl]propanamide
CID 44334174
(2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(2S)-1-hydroxyhexan-2-yl]propanamide
CID 44334266

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide (CID 110882762) is N-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide is Cc1cc(CNC(=O)C(O)c2ccccc2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is UWSYPQFZKWNHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-9-12(7-8-14(11)17)10-18-16(20)15(19)13-5-3-2-4-6-13/h2-9,15,19H,10H2,1H3,(H,18,20).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 273.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 110882762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).