3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide

C22H22FNO2 — CID 163889899

IUPAC3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide
SMILESCC1C=C(c2ccc(-c3cccc(O)c3)c(CCC(N)=O)c2)C=CC1F
InChIInChI=1S/C22H22FNO2/c1-14-11-15(6-9-21(14)23)16-5-8-20(17-3-2-4-19(25)13-17)18(12-16)7-10-22(24)26/h2-6,8-9,11-14,21,25H,7,10H2,1H3,(H2,24,26)
InChIKeyQAQUUDXVOUIBKS-UHFFFAOYSA-N
MW351.42 g/mol
LogP4.40
Rot. Bonds5

About 3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide

3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide (PubChem CID 163889899) has the molecular formula C22H22FNO2 and a molecular weight of 351.42 g/mol. Its IUPAC name is 3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide
PubChem CID163889899
Molecular FormulaC22H22FNO2
Molecular Weight351.42 g/mol
Exact Mass351.16
IUPAC Name3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide
SMILESCC1C=C(c2ccc(-c3cccc(O)c3)c(CCC(N)=O)c2)C=CC1F
InChIInChI=1S/C22H22FNO2/c1-14-11-15(6-9-21(14)23)16-5-8-20(17-3-2-4-19(25)13-17)18(12-16)7-10-22(24)26/h2-6,8-9,11-14,21,25H,7,10H2,1H3,(H2,24,26)
InChIKeyQAQUUDXVOUIBKS-UHFFFAOYSA-N
XLogP4.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-Fluorophenyl)-7-(2-hydroxy-3,4,6-trimethylphenyl)heptanoic acid
CID 11024760
N-Hydroxy-3-(4''-hydroxybiphenyl-4-yl)-propionamide
CID 42630929
4-[4-(3,5-dimethylphenyl)-3-hydroxyphenyl]-N,4-dimethylpentanamide
CID 44431950
6-[4-(3,5-dimethylphenyl)-3-hydroxyphenyl]-N,6-dimethylheptanamide
CID 44431952
N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide
CID 42631148
2-(carbamylmethyl)-8-hydroxy-3H-cyclopenta(a)naphthalene
CID 189776
(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanamide
CID 12962931
(3R,4S)-3,4-bis(4-hydroxyphenyl)hexanamide
CID 12962933
(5R,6R)-5,6-bis(4-hydroxyphenyl)-6-methyloctanamide
CID 73355850
N-hydroxy-12-(3-hydroxyphenyl)dodecanamide
CID 177380183
2-(3-Hydroxyphenyl)-2-phenylacetamide
CID 6605264
3-(4-Hydroxyphenyl)butanamide
CID 12239110

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide?
The IUPAC name of 3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide (CID 163889899) is 3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide.
What is the SMILES notation for 3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide?
The canonical SMILES for 3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide is CC1C=C(c2ccc(-c3cccc(O)c3)c(CCC(N)=O)c2)C=CC1F.
What is the InChIKey of 3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide?
The InChIKey is QAQUUDXVOUIBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO2/c1-14-11-15(6-9-21(14)23)16-5-8-20(17-3-2-4-19(25)13-17)18(12-16)7-10-22(24)26/h2-6,8-9,11-14,21,25H,7,10H2,1H3,(H2,24,26).
What are the key properties of 3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide?
3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide has a molecular weight of 351.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide is sourced from PubChem (CID 163889899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).