4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide

C24H28FNO4 — CID 166222819

IUPAC4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCC3(O)CCC4(CC3)OCCO4)c(F)c2)cc1C
InChIInChI=1S/C24H28FNO4/c1-16-3-4-18(13-17(16)2)19-5-6-20(21(25)14-19)22(27)26-15-23(28)7-9-24(10-8-23)29-11-12-30-24/h3-6,13-14,28H,7-12,15H2,1-2H3,(H,26,27)
InChIKeyLYDJZWRSFCVMFR-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.89
Rot. Bonds4

About 4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide

4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide (PubChem CID 166222819) has the molecular formula C24H28FNO4 and a molecular weight of 413.49 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide
PubChem CID166222819
Molecular FormulaC24H28FNO4
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCC3(O)CCC4(CC3)OCCO4)c(F)c2)cc1C
InChIInChI=1S/C24H28FNO4/c1-16-3-4-18(13-17(16)2)19-5-6-20(21(25)14-19)22(27)26-15-23(28)7-9-24(10-8-23)29-11-12-30-24/h3-6,13-14,28H,7-12,15H2,1-2H3,(H,26,27)
InChIKeyLYDJZWRSFCVMFR-UHFFFAOYSA-N
XLogP3.89
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide with MolForge

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Related Compounds

2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide
CID 111486212
4-amino-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117447
4-bromo-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119415
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate
CID 86898563
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677045
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 71989568
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
CID 65123638
4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119892
2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]-4-methylbenzamide
CID 111782022
4-(3,4-dimethylphenyl)-2-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462137
4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
CID 119388030

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide (CID 166222819) is 4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide is Cc1ccc(-c2ccc(C(=O)NCC3(O)CCC4(CC3)OCCO4)c(F)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide?
The InChIKey is LYDJZWRSFCVMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO4/c1-16-3-4-18(13-17(16)2)19-5-6-20(21(25)14-19)22(27)26-15-23(28)7-9-24(10-8-23)29-11-12-30-24/h3-6,13-14,28H,7-12,15H2,1-2H3,(H,26,27).
What are the key properties of 4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide?
4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide has a molecular weight of 413.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide is sourced from PubChem (CID 166222819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).