N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide

C22H25ClFN3O3 — CID 124882165

IUPACN'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide
SMILESC[C@@H]1CN(Cc2ccccc2CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C[C@@H](C)O1
InChIInChI=1S/C22H25ClFN3O3/c1-14-11-27(12-15(2)30-14)13-17-6-4-3-5-16(17)10-25-21(28)22(29)26-18-7-8-19(23)20(24)9-18/h3-9,14-15H,10-13H2,1-2H3,(H,25,28)(H,26,29)/t14-,15-/m1/s1
InChIKeyNSBUMOZRVJKOTQ-HUUCEWRRSA-N
MW433.91 g/mol
LogP3.34
Rot. Bonds5

About N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide

N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide (PubChem CID 124882165) has the molecular formula C22H25ClFN3O3 and a molecular weight of 433.91 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide
PubChem CID124882165
Molecular FormulaC22H25ClFN3O3
Molecular Weight433.91 g/mol
Exact Mass433.16
IUPAC NameN'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide
SMILESC[C@@H]1CN(Cc2ccccc2CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C[C@@H](C)O1
InChIInChI=1S/C22H25ClFN3O3/c1-14-11-27(12-15(2)30-14)13-17-6-4-3-5-16(17)10-25-21(28)22(29)26-18-7-8-19(23)20(24)9-18/h3-9,14-15H,10-13H2,1-2H3,(H,25,28)(H,26,29)/t14-,15-/m1/s1
InChIKeyNSBUMOZRVJKOTQ-HUUCEWRRSA-N
XLogP3.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide with MolForge

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Related Compounds

N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55745875
1-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111265313
2-amino-N-[[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-2-methylpropanamide
CID 124696235
1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 124689810
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 78880331
1-(3-chloro-4-fluorophenyl)-3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]thiourea
CID 55639574
N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503887
1-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(2-fluorophenyl)urea
CID 86979768
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 51121223
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 47042325
N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108512828
N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide
CID 46199606

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide?
The IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide (CID 124882165) is N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide.
What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide?
The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide is C[C@@H]1CN(Cc2ccccc2CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C[C@@H](C)O1.
What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide?
The InChIKey is NSBUMOZRVJKOTQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C22H25ClFN3O3/c1-14-11-27(12-15(2)30-14)13-17-6-4-3-5-16(17)10-25-21(28)22(29)26-18-7-8-19(23)20(24)9-18/h3-9,14-15H,10-13H2,1-2H3,(H,25,28)(H,26,29)/t14-,15-/m1/s1.
What are the key properties of N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide?
N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide has a molecular weight of 433.91 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-fluorophenyl)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]oxamide is sourced from PubChem (CID 124882165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).