1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea

C16H21FN4O3 — CID 167968899

IUPAC1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea
SMILESO=C(NCc1cc(F)ccc1N1CCOCC1)N[C@H]1CCNC1=O
InChIInChI=1S/C16H21FN4O3/c17-12-1-2-14(21-5-7-24-8-6-21)11(9-12)10-19-16(23)20-13-3-4-18-15(13)22/h1-2,9,13H,3-8,10H2,(H,18,22)(H2,19,20,23)/t13-/m0/s1
InChIKeyONFWSJUHSTWJRN-ZDUSSCGKSA-N
MW336.37 g/mol
LogP0.35
Rot. Bonds4

About 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea

1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea (PubChem CID 167968899) has the molecular formula C16H21FN4O3 and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea
PubChem CID167968899
Molecular FormulaC16H21FN4O3
Molecular Weight336.37 g/mol
Exact Mass336.16
IUPAC Name1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea
SMILESO=C(NCc1cc(F)ccc1N1CCOCC1)N[C@H]1CCNC1=O
InChIInChI=1S/C16H21FN4O3/c17-12-1-2-14(21-5-7-24-8-6-21)11(9-12)10-19-16(23)20-13-3-4-18-15(13)22/h1-2,9,13H,3-8,10H2,(H,18,22)(H2,19,20,23)/t13-/m0/s1
InChIKeyONFWSJUHSTWJRN-ZDUSSCGKSA-N
XLogP0.35
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119892449
2-amino-N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120801004
1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea
CID 51084089
N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide
CID 166212710
1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-phenylhydrazine
CID 169386637
[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate
CID 49107650
1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 124888924
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-oxoazepan-3-yl)urea
CID 71893342
1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]cyclopropan-1-amine
CID 117379377
3-(2,5-dihydropyrrol-1-yl)-N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119160787
2-(5-fluoro-2-morpholin-4-ylphenyl)ethanamine
CID 63784729
1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea
CID 124880562

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea (CID 167968899) is 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea is O=C(NCc1cc(F)ccc1N1CCOCC1)N[C@H]1CCNC1=O.
What is the InChIKey of 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea?
The InChIKey is ONFWSJUHSTWJRN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21FN4O3/c17-12-1-2-14(21-5-7-24-8-6-21)11(9-12)10-19-16(23)20-13-3-4-18-15(13)22/h1-2,9,13H,3-8,10H2,(H,18,22)(H2,19,20,23)/t13-/m0/s1.
What are the key properties of 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea?
1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea has a molecular weight of 336.37 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 167968899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).