1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea

C17H16FN3O3 — CID 97352613

IUPAC1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H16FN3O3/c1-24-15-5-3-2-4-13(15)19-17(23)20-14-10-21(16(14)22)12-8-6-11(18)7-9-12/h2-9,14H,10H2,1H3,(H2,19,20,23)/t14-/m0/s1
InChIKeyOPAKSYFIMWWJCT-AWEZNQCLSA-N
MW329.33 g/mol
LogP2.37
Rot. Bonds4

About 1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea

1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea (PubChem CID 97352613) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea
PubChem CID97352613
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H16FN3O3/c1-24-15-5-3-2-4-13(15)19-17(23)20-14-10-21(16(14)22)12-8-6-11(18)7-9-12/h2-9,14H,10H2,1H3,(H2,19,20,23)/t14-/m0/s1
InChIKeyOPAKSYFIMWWJCT-AWEZNQCLSA-N
XLogP2.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838850
1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513461
1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
CID 7215573
1-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 95051247
1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014855
(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione
CID 93235253
N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide
CID 136522257
N-[(3R)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 129447704
1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838900
1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548162
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea
CID 3446591

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea (CID 97352613) is 1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is OPAKSYFIMWWJCT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-24-15-5-3-2-4-13(15)19-17(23)20-14-10-21(16(14)22)12-8-6-11(18)7-9-12/h2-9,14H,10H2,1H3,(H2,19,20,23)/t14-/m0/s1.
What are the key properties of 1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea?
1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 329.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 97352613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).