2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C25H30FNO5 — CID 26319724

IUPAC2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2F)cc1OCC1(C)COC1
InChIInChI=1S/C25H30FNO5/c1-25(15-30-16-25)17-32-23-12-18(9-10-22(23)29-2)13-27(14-19-6-5-11-31-19)24(28)20-7-3-4-8-21(20)26/h3-4,7-10,12,19H,5-6,11,13-17H2,1-2H3/t19-/m0/s1
InChIKeyTYXXHMDHWXFGQW-IBGZPJMESA-N
MW443.52 g/mol
LogP4.07
Rot. Bonds9

About 2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 26319724) has the molecular formula C25H30FNO5 and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID26319724
Molecular FormulaC25H30FNO5
Molecular Weight443.52 g/mol
Exact Mass443.21
IUPAC Name2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2F)cc1OCC1(C)COC1
InChIInChI=1S/C25H30FNO5/c1-25(15-30-16-25)17-32-23-12-18(9-10-22(23)29-2)13-27(14-19-6-5-11-31-19)24(28)20-7-3-4-8-21(20)26/h3-4,7-10,12,19H,5-6,11,13-17H2,1-2H3/t19-/m0/s1
InChIKeyTYXXHMDHWXFGQW-IBGZPJMESA-N
XLogP4.07
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide with MolForge

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Related Compounds

4-methoxy-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 118754774
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 26397160
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 26343215
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pent-4-enamide
CID 42499790
(E)-3-(2-chlorophenyl)-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 26400236
(E)-3-(2-chlorophenyl)-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 26400235
(E)-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 118756844
N-[(3,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 51687516
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
N-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 19118894
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45199784
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42428933

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 26319724) is 2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2F)cc1OCC1(C)COC1.
What is the InChIKey of 2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is TYXXHMDHWXFGQW-IBGZPJMESA-N. The full InChI is InChI=1S/C25H30FNO5/c1-25(15-30-16-25)17-32-23-12-18(9-10-22(23)29-2)13-27(14-19-6-5-11-31-19)24(28)20-7-3-4-8-21(20)26/h3-4,7-10,12,19H,5-6,11,13-17H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 443.52 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 26319724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).