2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide

C25H27FN2O3 — CID 42862078

IUPAC2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide
SMILESCc1ccc(CN2CCOC(CN(Cc3ccco3)C(=O)c3ccccc3F)C2)cc1
InChIInChI=1S/C25H27FN2O3/c1-19-8-10-20(11-9-19)15-27-12-14-31-22(16-27)18-28(17-21-5-4-13-30-21)25(29)23-6-2-3-7-24(23)26/h2-11,13,22H,12,14-18H2,1H3
InChIKeyQJZDTJOCEVLOGW-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.27
Rot. Bonds7

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

2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide (PubChem CID 42862078) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide
PubChem CID42862078
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide
SMILESCc1ccc(CN2CCOC(CN(Cc3ccco3)C(=O)c3ccccc3F)C2)cc1
InChIInChI=1S/C25H27FN2O3/c1-19-8-10-20(11-9-19)15-27-12-14-31-22(16-27)18-28(17-21-5-4-13-30-21)25(29)23-6-2-3-7-24(23)26/h2-11,13,22H,12,14-18H2,1H3
InChIKeyQJZDTJOCEVLOGW-UHFFFAOYSA-N
XLogP4.27
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide
CID 42862218
N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 92989347
2-fluoro-N-[[(2R)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92989345
4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 46041263
N-[[4-(furan-2-ylmethyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 42849325
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 3593635
2-fluoro-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide
CID 19243795
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866
N-(furan-2-ylmethyl)-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 42803260
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
N-[[4-(furan-2-ylmethyl)morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862045
2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 3361350

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide (CID 42862078) is 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide is Cc1ccc(CN2CCOC(CN(Cc3ccco3)C(=O)c3ccccc3F)C2)cc1.
What is the InChIKey of 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide?
The InChIKey is QJZDTJOCEVLOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3/c1-19-8-10-20(11-9-19)15-27-12-14-31-22(16-27)18-28(17-21-5-4-13-30-21)25(29)23-6-2-3-7-24(23)26/h2-11,13,22H,12,14-18H2,1H3.
What are the key properties of 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide?
2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide has a molecular weight of 422.50 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 42862078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).