N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

C25H26FN3O4 — CID 55877442

IUPACN-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCC1CN(c2ccc(CNC(=O)c3cccc(NC(=O)c4ccco4)c3)cc2F)CC(C)O1
InChIInChI=1S/C25H26FN3O4/c1-16-14-29(15-17(2)33-16)22-9-8-18(11-21(22)26)13-27-24(30)19-5-3-6-20(12-19)28-25(31)23-7-4-10-32-23/h3-12,16-17H,13-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyQXTPASNSHDGPQM-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.21
Rot. Bonds6

About N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55877442) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID55877442
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC NameN-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCC1CN(c2ccc(CNC(=O)c3cccc(NC(=O)c4ccco4)c3)cc2F)CC(C)O1
InChIInChI=1S/C25H26FN3O4/c1-16-14-29(15-17(2)33-16)22-9-8-18(11-21(22)26)13-27-24(30)19-5-3-6-20(12-19)28-25(31)23-7-4-10-32-23/h3-12,16-17H,13-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyQXTPASNSHDGPQM-UHFFFAOYSA-N
XLogP4.21
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3,4-dimethylbenzamide
CID 55876400
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 55876538
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
CID 166203769
N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide
CID 94617347
4-carbamothioyl-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]benzamide
CID 94840333
2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid
CID 2804715
3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 52505087
5-chloro-N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]furan-2-carboxamide
CID 55877945
2-chloro-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]acetamide
CID 96582200
N-[3-[(3-ethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55844290
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-thiophen-2-ylacetamide
CID 55877812
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]cyclobutanecarboxamide
CID 47062619

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide (CID 55877442) is N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide is CC1CN(c2ccc(CNC(=O)c3cccc(NC(=O)c4ccco4)c3)cc2F)CC(C)O1.
What is the InChIKey of N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is QXTPASNSHDGPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-16-14-29(15-17(2)33-16)22-9-8-18(11-21(22)26)13-27-24(30)19-5-3-6-20(12-19)28-25(31)23-7-4-10-32-23/h3-12,16-17H,13-15H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55877442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).