N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide

C15H22FNO2 — CID 110911200

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide
SMILESCCCC(C)CC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-3-4-11(2)9-15(19)17-10-14(18)12-5-7-13(16)8-6-12/h5-8,11,14,18H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeyGQZDHCXWVAURMC-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.80
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide (PubChem CID 110911200) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide
PubChem CID110911200
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide
SMILESCCCC(C)CC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-3-4-11(2)9-15(19)17-10-14(18)12-5-7-13(16)8-6-12/h5-8,11,14,18H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeyGQZDHCXWVAURMC-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909
3-(4-fluorophenyl)-3-(3-methylhexanoylamino)propanoic acid
CID 119169664
(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
CID 138488448
N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide
CID 110888740
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888819
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)butanamide
CID 111451226
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea
CID 110893315
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide
CID 110899045
2-(1-ethylpiperidin-4-yl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 72923503
2-(1-ethylpiperidin-4-yl)-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 97206604
1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol
CID 62118004

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide (CID 110911200) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide is CCCC(C)CC(=O)NCC(O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide?
The InChIKey is GQZDHCXWVAURMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-3-4-11(2)9-15(19)17-10-14(18)12-5-7-13(16)8-6-12/h5-8,11,14,18H,3-4,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide has a molecular weight of 267.34 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide is sourced from PubChem (CID 110911200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).