N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide

C16H16FNO3 — CID 34529749

IUPACN-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H](O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO3/c1-11(19)18-14-6-8-15(9-7-14)21-10-16(20)12-2-4-13(17)5-3-12/h2-9,16,20H,10H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyUNOAHMVAEASETN-MRXNPFEDSA-N
MW289.31 g/mol
LogP2.90
Rot. Bonds5

About N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide

N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide (PubChem CID 34529749) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide
PubChem CID34529749
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H](O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO3/c1-11(19)18-14-6-8-15(9-7-14)21-10-16(20)12-2-4-13(17)5-3-12/h2-9,16,20H,10H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyUNOAHMVAEASETN-MRXNPFEDSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 114265317
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N-[4-[3-(4-ethylphenoxy)-2-hydroxypropoxy]phenyl]acetamide
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[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
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N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide
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2-acetamido-3-(4-fluorophenoxy)propanoic acid
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N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
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2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
(3S)-3-(4-acetamidophenyl)-3-hydroxypropanoic acid
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CID 14407113

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide (CID 34529749) is N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC[C@@H](O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide?
The InChIKey is UNOAHMVAEASETN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-11(19)18-14-6-8-15(9-7-14)21-10-16(20)12-2-4-13(17)5-3-12/h2-9,16,20H,10H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide?
N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide has a molecular weight of 289.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide is sourced from PubChem (CID 34529749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).