2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide

C20H22FNO3 — CID 111486212

IUPAC2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCC3(O)CCOCC3)c(F)c2)cc1
InChIInChI=1S/C20H22FNO3/c1-14-2-4-15(5-3-14)16-6-7-17(18(21)12-16)19(23)22-13-20(24)8-10-25-11-9-20/h2-7,12,24H,8-11,13H2,1H3,(H,22,23)
InChIKeyLFACEEUFMSCBPH-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.07
Rot. Bonds4

About 2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide

2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide (PubChem CID 111486212) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide
PubChem CID111486212
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCC3(O)CCOCC3)c(F)c2)cc1
InChIInChI=1S/C20H22FNO3/c1-14-2-4-15(5-3-14)16-6-7-17(18(21)12-16)19(23)22-13-20(24)8-10-25-11-9-20/h2-7,12,24H,8-11,13H2,1H3,(H,22,23)
InChIKeyLFACEEUFMSCBPH-UHFFFAOYSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
4-(3,4-dimethylphenyl)-2-fluoro-N-[(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)methyl]benzamide
CID 166222819
4-[[(2-fluoro-4-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438527
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide
CID 79039193
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 71989568
2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039867
2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide
CID 111486058
2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039031
2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]-4-methylbenzamide
CID 111782022
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 104919925
2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride
CID 119429870

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide?
The IUPAC name of 2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide (CID 111486212) is 2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide is Cc1ccc(-c2ccc(C(=O)NCC3(O)CCOCC3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide?
The InChIKey is LFACEEUFMSCBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-14-2-4-15(5-3-14)16-6-7-17(18(21)12-16)19(23)22-13-20(24)8-10-25-11-9-20/h2-7,12,24H,8-11,13H2,1H3,(H,22,23).
What are the key properties of 2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide?
2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide has a molecular weight of 343.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide is sourced from PubChem (CID 111486212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).