N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide

C20H24FNO3 — CID 95870855

IUPACN-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ccc(O)c(F)c1
InChIInChI=1S/C20H24FNO3/c1-13(16-8-9-18(23)17(21)12-16)22-19(24)15-6-4-14(5-7-15)10-11-20(2,3)25/h4-9,12-13,23,25H,10-11H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyXUGLXRZXFZCIAE-CYBMUJFWSA-N
MW345.41 g/mol
LogP3.73
Rot. Bonds6

About N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide

N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide (PubChem CID 95870855) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
PubChem CID95870855
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ccc(O)c(F)c1
InChIInChI=1S/C20H24FNO3/c1-13(16-8-9-18(23)17(21)12-16)22-19(24)15-6-4-14(5-7-15)10-11-20(2,3)25/h4-9,12-13,23,25H,10-11H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyXUGLXRZXFZCIAE-CYBMUJFWSA-N
XLogP3.73
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-3-methylbutyl)-N-[1-(4-hydroxyphenyl)ethyl]benzamide
CID 70724944
4-(chloromethyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 43697335
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95882818
4-(3-hydroxy-3-methylbutyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 56894427
3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(2-hydroxyphenyl)ethyl]benzamide
CID 95873504
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 70759937
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25493079
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74249303
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95872440
N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide
CID 99946069
4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 95897881

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide (CID 95870855) is N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide is C[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ccc(O)c(F)c1.
What is the InChIKey of N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The InChIKey is XUGLXRZXFZCIAE-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-13(16-8-9-18(23)17(21)12-16)22-19(24)15-6-4-14(5-7-15)10-11-20(2,3)25/h4-9,12-13,23,25H,10-11H2,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide has a molecular weight of 345.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 95870855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).