2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide

C24H27FN2O4 — CID 110233454

IUPAC2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide
SMILESCNC(=O)C1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C2CCCO2)CCO1
InChIInChI=1S/C24H27FN2O4/c1-26-23(29)24(16-27(12-14-31-24)22(28)21-3-2-13-30-21)15-17-4-6-18(7-5-17)19-8-10-20(25)11-9-19/h4-11,21H,2-3,12-16H2,1H3,(H,26,29)
InChIKeyDVSLNTREAMLXIU-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.56
Rot. Bonds5

About 2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide

2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide (PubChem CID 110233454) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide
PubChem CID110233454
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC Name2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide
SMILESCNC(=O)C1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C2CCCO2)CCO1
InChIInChI=1S/C24H27FN2O4/c1-26-23(29)24(16-27(12-14-31-24)22(28)21-3-2-13-30-21)15-17-4-6-18(7-5-17)19-8-10-20(25)11-9-19/h4-11,21H,2-3,12-16H2,1H3,(H,26,29)
InChIKeyDVSLNTREAMLXIU-UHFFFAOYSA-N
XLogP2.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
CID 95848940
(2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 95848988
(2R)-N,N-dimethyl-2-[[4-(3-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
CID 92561023
(2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide
CID 92592685
(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610099
4-(2,2-dimethylpropanoyl)-2-[[4-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 110233459
2-(4-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797537
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
N-[(4-fluorophenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300430
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835
(2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
CID 51078971
4-(cyclopropanecarbonyl)-2-[[2-(4-fluorophenyl)phenyl]methyl]-N-prop-2-enylmorpholine-2-carboxamide
CID 110232975

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide?
The IUPAC name of 2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide (CID 110233454) is 2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for 2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide is CNC(=O)C1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C2CCCO2)CCO1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide?
The InChIKey is DVSLNTREAMLXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-26-23(29)24(16-27(12-14-31-24)22(28)21-3-2-13-30-21)15-17-4-6-18(7-5-17)19-8-10-20(25)11-9-19/h4-11,21H,2-3,12-16H2,1H3,(H,26,29).
What are the key properties of 2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide?
2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 110233454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).