2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide

C19H22FNO3 — CID 95982952

IUPAC2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C[C@](C)(O)CNC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3/c1-19(23,12-15-5-9-17(24-2)10-6-15)13-21-18(22)11-14-3-7-16(20)8-4-14/h3-10,23H,11-13H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyIXVRRCYKSIDJGK-IBGZPJMESA-N
MW331.39 g/mol
LogP2.49
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide

2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide (PubChem CID 95982952) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
PubChem CID95982952
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C[C@](C)(O)CNC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3/c1-19(23,12-15-5-9-17(24-2)10-6-15)13-21-18(22)11-14-3-7-16(20)8-4-14/h3-10,23H,11-13H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyIXVRRCYKSIDJGK-IBGZPJMESA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
2-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782018
2-(4-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782036
3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 66001117
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498248
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
CID 65109847
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 99873792
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 90498239
2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498249
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 95982933
1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea
CID 71782105

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide (CID 95982952) is 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide is COc1ccc(C[C@](C)(O)CNC(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The InChIKey is IXVRRCYKSIDJGK-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22FNO3/c1-19(23,12-15-5-9-17(24-2)10-6-15)13-21-18(22)11-14-3-7-16(20)8-4-14/h3-10,23H,11-13H2,1-2H3,(H,21,22)/t19-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide?
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide has a molecular weight of 331.39 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 95982952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).