5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide

C14H20FNO3 — CID 112511084

IUPAC5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide
SMILESCOc1ccc(F)cc1C(O)CCCC(=O)N(C)C
InChIInChI=1S/C14H20FNO3/c1-16(2)14(18)6-4-5-12(17)11-9-10(15)7-8-13(11)19-3/h7-9,12,17H,4-6H2,1-3H3
InChIKeyBDHMXESOYPFEDL-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.13
Rot. Bonds6

About 5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide

5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide (PubChem CID 112511084) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide
PubChem CID112511084
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide
SMILESCOc1ccc(F)cc1C(O)CCCC(=O)N(C)C
InChIInChI=1S/C14H20FNO3/c1-16(2)14(18)6-4-5-12(17)11-9-10(15)7-8-13(11)19-3/h7-9,12,17H,4-6H2,1-3H3
InChIKeyBDHMXESOYPFEDL-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
5-(5-fluoro-2-methoxyphenyl)hexanoic acid
CID 112512385
(1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol
CID 142421091
3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 61087261
1-(5-fluoro-2-methoxyphenyl)-3-pyridin-4-ylpropan-1-ol
CID 105122276
1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027670
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
tert-butyl N-[tert-butyl(dimethyl)silyl]oxy-N-[4-(5-fluoro-2-methoxyphenyl)-4-hydroxybutyl]carbamate
CID 87411671
1-(5-fluoro-2-methoxyphenyl)-3-pyridin-2-ylpropan-1-ol
CID 105122398
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105122379
14-(3,4-dimethoxyphenyl)-5,12-dihydroxy-N,N-dimethyltetradeca-6,8,10-trienamide
CID 54564276
2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol
CID 83943899

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide (CID 112511084) is 5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide is COc1ccc(F)cc1C(O)CCCC(=O)N(C)C.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide?
The InChIKey is BDHMXESOYPFEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-16(2)14(18)6-4-5-12(17)11-9-10(15)7-8-13(11)19-3/h7-9,12,17H,4-6H2,1-3H3.
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide?
5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide has a molecular weight of 269.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide is sourced from PubChem (CID 112511084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).