2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide

C15H22FNO2 — CID 95741027

IUPAC2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide
SMILESCC(C)(C)[C@H](O)CCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-15(2,3)13(18)8-9-17-14(19)10-11-4-6-12(16)7-5-11/h4-7,13,18H,8-10H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyVYLRMEZUQWMAJZ-CYBMUJFWSA-N
MW267.34 g/mol
LogP2.28
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide

2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide (PubChem CID 95741027) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide
PubChem CID95741027
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide
SMILESCC(C)(C)[C@H](O)CCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-15(2,3)13(18)8-9-17-14(19)10-11-4-6-12(16)7-5-11/h4-7,13,18H,8-10H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyVYLRMEZUQWMAJZ-CYBMUJFWSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861403
2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 71787802
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 71690349
4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984599
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 110665744
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351
2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110978082
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
CID 71787595
2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide
CID 64996810
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide (CID 95741027) is 2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide is CC(C)(C)[C@H](O)CCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide?
The InChIKey is VYLRMEZUQWMAJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(2,3)13(18)8-9-17-14(19)10-11-4-6-12(16)7-5-11/h4-7,13,18H,8-10H2,1-3H3,(H,17,19)/t13-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide?
2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide has a molecular weight of 267.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide is sourced from PubChem (CID 95741027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).