2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide

C21H27FN2O5 — CID 42862218

IUPAC2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide
SMILESCOCC(O)CN1CCOC(CN(Cc2ccco2)C(=O)c2ccccc2F)C1
InChIInChI=1S/C21H27FN2O5/c1-27-15-16(25)11-23-8-10-29-18(12-23)14-24(13-17-5-4-9-28-17)21(26)19-6-2-3-7-20(19)22/h2-7,9,16,18,25H,8,10-15H2,1H3
InChIKeyZOFZRZYQZPDNJX-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.77
Rot. Bonds9

About 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide

2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide (PubChem CID 42862218) has the molecular formula C21H27FN2O5 and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide
PubChem CID42862218
Molecular FormulaC21H27FN2O5
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide
SMILESCOCC(O)CN1CCOC(CN(Cc2ccco2)C(=O)c2ccccc2F)C1
InChIInChI=1S/C21H27FN2O5/c1-27-15-16(25)11-23-8-10-29-18(12-23)14-24(13-17-5-4-9-28-17)21(26)19-6-2-3-7-20(19)22/h2-7,9,16,18,25H,8,10-15H2,1H3
InChIKeyZOFZRZYQZPDNJX-UHFFFAOYSA-N
XLogP1.77
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 42862078
N-[[(2S)-4-[(2S)-2-hydroxy-3-methoxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984293
N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 92989347
N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 99732164
N-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92989538
N-[[(2S)-4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984280
N-[[(2S)-4-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 92989372
N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984292
N-[[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46041392
N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984291
N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 99731560
N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 42859648

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide (CID 42862218) is 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide is COCC(O)CN1CCOC(CN(Cc2ccco2)C(=O)c2ccccc2F)C1.
What is the InChIKey of 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is ZOFZRZYQZPDNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O5/c1-27-15-16(25)11-23-8-10-29-18(12-23)14-24(13-17-5-4-9-28-17)21(26)19-6-2-3-7-20(19)22/h2-7,9,16,18,25H,8,10-15H2,1H3.
What are the key properties of 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide?
2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 406.45 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 42862218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).