[5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea

C22H25ClFN3O4 — CID 59393976

IUPAC[5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea
SMILESC[C@@H]1CO[C@H](CCc2ccc(F)cc2)CN1C(=O)COc1ccc(Cl)cc1NC(N)=O
InChIInChI=1S/C22H25ClFN3O4/c1-14-12-30-18(8-4-15-2-6-17(24)7-3-15)11-27(14)21(28)13-31-20-9-5-16(23)10-19(20)26-22(25)29/h2-3,5-7,9-10,14,18H,4,8,11-13H2,1H3,(H3,25,26,29)/t14-,18-/m1/s1
InChIKeyNVKHTMSRFNEWPP-RDTXWAMCSA-N
MW449.91 g/mol
LogP3.60
Rot. Bonds7

About [5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea

[5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea (PubChem CID 59393976) has the molecular formula C22H25ClFN3O4 and a molecular weight of 449.91 g/mol. Its IUPAC name is [5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea.

Molecular Properties

Compound Name[5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea
PubChem CID59393976
Molecular FormulaC22H25ClFN3O4
Molecular Weight449.91 g/mol
Exact Mass449.15
IUPAC Name[5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea
SMILESC[C@@H]1CO[C@H](CCc2ccc(F)cc2)CN1C(=O)COc1ccc(Cl)cc1NC(N)=O
InChIInChI=1S/C22H25ClFN3O4/c1-14-12-30-18(8-4-15-2-6-17(24)7-3-15)11-27(14)21(28)13-31-20-9-5-16(23)10-19(20)26-22(25)29/h2-3,5-7,9-10,14,18H,4,8,11-13H2,1H3,(H3,25,26,29)/t14-,18-/m1/s1
InChIKeyNVKHTMSRFNEWPP-RDTXWAMCSA-N
XLogP3.60
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.91
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea with MolForge

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Related Compounds

(2S)-4-benzyl-2-(hydroxymethyl)-5-methylmorpholin-3-one;[5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea
CID 67547988
N-[5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]propanamide
CID 54152989
N-[5-chloro-2-[2-[(2S,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-2-methoxyacetamide
CID 69104859
N-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 22263865
2-[carbamoyl(methyl)amino]-N-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 22263874
2-(4-chloro-2-methylphenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 22264649
[2-[2-[4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethoxy]-5-chlorophenyl]urea
CID 11619284
1-(2,5-dimethylmorpholin-4-yl)-2-(2-fluorophenoxy)ethanone
CID 110727665
[2-[2-[(3aR)-7-[(4-fluorophenyl)methyl]-3a-methyl-2,2-dioxo-6,7a-dihydro-5H-[1,3,2]dioxathiolo[4,5-b]pyrazin-4-yl]-2-oxoethoxy]-5-chlorophenyl]urea
CID 141144835
2-(2,4-dichlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 22264813
N-[5-chloro-2-[2-[3-[(4-fluorophenyl)methyl]-3,7,9-triazabicyclo[3.3.1]nonan-9-yl]-2-oxoethoxy]phenyl]acetamide
CID 58946895
1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
CID 110706983

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea?
The IUPAC name of [5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea (CID 59393976) is [5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea.
What is the SMILES notation for [5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea?
The canonical SMILES for [5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea is C[C@@H]1CO[C@H](CCc2ccc(F)cc2)CN1C(=O)COc1ccc(Cl)cc1NC(N)=O.
What is the InChIKey of [5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea?
The InChIKey is NVKHTMSRFNEWPP-RDTXWAMCSA-N. The full InChI is InChI=1S/C22H25ClFN3O4/c1-14-12-30-18(8-4-15-2-6-17(24)7-3-15)11-27(14)21(28)13-31-20-9-5-16(23)10-19(20)26-22(25)29/h2-3,5-7,9-10,14,18H,4,8,11-13H2,1H3,(H3,25,26,29)/t14-,18-/m1/s1.
What are the key properties of [5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea?
[5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea has a molecular weight of 449.91 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[2-[(2R,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholin-4-yl]-2-oxoethoxy]phenyl]urea is sourced from PubChem (CID 59393976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).