3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea

C20H24FN3O2 — CID 118398302

IUPAC3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea
SMILESCN(CCc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H24FN3O2/c1-23(10-9-16-5-3-2-4-6-16)20(25)22-17-7-8-19(18(21)15-17)24-11-13-26-14-12-24/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyZMMJUYVFBJMNBW-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.37
Rot. Bonds5

About 3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea

3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea (PubChem CID 118398302) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea
PubChem CID118398302
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea
SMILESCN(CCc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H24FN3O2/c1-23(10-9-16-5-3-2-4-6-16)20(25)22-17-7-8-19(18(21)15-17)24-11-13-26-14-12-24/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyZMMJUYVFBJMNBW-UHFFFAOYSA-N
XLogP3.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid
CID 122095228
3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 47258233
methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
CID 7328433
3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 3596842
1,1-diethyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)urea
CID 47264836
benzyl N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]carbamate
CID 67225663
1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid
CID 117416870
3-[[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122080094
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948987

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea?
The IUPAC name of 3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea (CID 118398302) is 3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea.
What is the SMILES notation for 3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea?
The canonical SMILES for 3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea is CN(CCc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea?
The InChIKey is ZMMJUYVFBJMNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-23(10-9-16-5-3-2-4-6-16)20(25)22-17-7-8-19(18(21)15-17)24-11-13-26-14-12-24/h2-8,15H,9-14H2,1H3,(H,22,25).
What are the key properties of 3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea?
3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea has a molecular weight of 357.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea is sourced from PubChem (CID 118398302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).