N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide

C26H26FNO3 — CID 134026942

IUPACN-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
SMILESCN(C(=O)c1cccc(OCC2CCCO2)c1)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C26H26FNO3/c1-28(25(19-7-3-2-4-8-19)20-12-14-22(27)15-13-20)26(29)21-9-5-10-23(17-21)31-18-24-11-6-16-30-24/h2-5,7-10,12-15,17,24-25H,6,11,16,18H2,1H3
InChIKeyOOKTVOMMMXFDFQ-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.25
Rot. Bonds7

About N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide

N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 134026942) has the molecular formula C26H26FNO3 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID134026942
Molecular FormulaC26H26FNO3
Molecular Weight419.50 g/mol
Exact Mass419.19
IUPAC NameN-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
SMILESCN(C(=O)c1cccc(OCC2CCCO2)c1)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C26H26FNO3/c1-28(25(19-7-3-2-4-8-19)20-12-14-22(27)15-13-20)26(29)21-9-5-10-23(17-21)31-18-24-11-6-16-30-24/h2-5,7-10,12-15,17,24-25H,6,11,16,18H2,1H3
InChIKeyOOKTVOMMMXFDFQ-UHFFFAOYSA-N
XLogP5.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044138
N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 43044155
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
1-ethyl-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]urea
CID 52505168
(4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 33395478
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-[[4-(dimethylamino)phenyl]methyl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)benzamide
CID 78840852
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119225550
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
CID 86925767
5-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]-1,3-diazinane-2,4,6-trione
CID 98449523
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 34962763
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide (CID 134026942) is N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide is CN(C(=O)c1cccc(OCC2CCCO2)c1)C(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is OOKTVOMMMXFDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO3/c1-28(25(19-7-3-2-4-8-19)20-12-14-22(27)15-13-20)26(29)21-9-5-10-23(17-21)31-18-24-11-6-16-30-24/h2-5,7-10,12-15,17,24-25H,6,11,16,18H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide?
N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 419.50 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 134026942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).